Phenanthrenes

Benzo[a]pyrene

苯并芘

PHY-NP-14973 · Natural product research catalog

Catalog number	PHY-NP-14973
CAS number	50-32-8
Molecular formula	C₂₀H₁₂
Molecular weight	252.316 g/mol
Chemical class	Phenanthrenes
Main reported source	Homo sapiens
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Benzo[a]pyrene is listed in the Phenanthrenes section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	benzo[a]pyrene
SMILES	C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3
InChIKey	FMMWHPNWAFZXNH-UHFFFAOYSA-N
Subclass / scaffold	Phenanthrenes
PubChem CID	2336

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	5
Aromatic rings	5
Fraction Csp³	0.0
Synthetic accessibility score	1.85
QED score	0.243
Lipinski rule violations	1
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Phenanthrenoids
NPClassifier class	Phenanthrenes
Parent SMILES	c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
Parent formula	C₂₀H₁₂
Parent molecular weight	252.316
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Homo sapiens
Reported source families	Hominidae; Apiaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Homo sapiens[2]; Angelica sinensis[1]
All reported source families	Hominidae[1]; Apiaceae[1]
LOTUS species records	2
LOTUS reference records	3
COCONUT occurrence records	Angelica sinensis; Cephalaria kotschyi; Helianthus annuus; Homo sapiens; Mus musculus; Salvia hispanica
COCONUT organism records	6
COCONUT identifier	CNP0381277.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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