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Phenanthrenes

BChE-IN-10

1-(4-羟基苄基)-4,7-二甲氧基菲-2,8-二醇

PHY-NP-14969 · Natural product research catalog

Catalog numberPHY-NP-14969
CAS number2185837-61-8
Molecular formulaC23H20O5
Molecular weight376.408 g/mol
Chemical classPhenanthrenes
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of BChE-IN-10

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100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

BChE-IN-10 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.

Names & identifiers

IUPAC name8-[(4-hydroxyphenyl)methyl]-2,5-dimethoxyphenanthrene-1,7-diol
SMILESCOC1=C(C2=C(C=C1)C3=C(C=C(C(=C3C=C2)CC4=CC=C(C=C4)O)O)OC)O
InChIKeyKVVKCGLDLZTXLK-UHFFFAOYSA-N
Subclass / scaffoldPhenanthrenes
PubChem CID152747045

Computed properties

Exact mass (Da)376.1311Predicted LogP4.7178
Predicted TPSA (Ų)79.15H-bond donors3
H-bond acceptors5Rotatable bonds4

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

View additional properties & classification
Ring count4
Aromatic rings4
Fraction Csp³0.13
Synthetic accessibility score2.39
QED score0.449
Lipinski rule violations0
NPClassifier pathwayShikimates and Phenylpropanoids
NPClassifier superclassPhenanthrenoids
NPClassifier classPhenanthrenes
Parent SMILESCOc1ccc2c(ccc3c(Cc4ccc(O)cc4)c(O)cc(OC)c32)c1O
Parent formulaC23H20O5
Parent molecular weight376.408
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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

Documents & specifications

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

Request applicable documentation and handling information before ordering or use.