3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene
TL;DR: 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene (CAS 82510-57-4) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5R,6R,7S)-4-oxapentacyclo[9.8.0.02,8.03,5.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: BcPhde, (+)-anti-BPhDE, B(c)PH diol epoxide-2, (+)-anti-B[c]PDE, NIOSH/DI8520000
Technical Specifications
| Molecular Formula | C18H14O3 |
| Molecular Weight | 278.0943 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 Da |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)[C@@H]([C@H]([C@@H]5[C@H]4O5)O)O |
| InChIKey | QGMAOLZIDYVIDK-XWTMOSNGSA-N |
Chemical Property Profile of 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene
Property Insights of 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene. With a topological polar surface area (TPSA) of 53.0 Ų, 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene?
The CAS number of 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene is 82510-57-4.
What is the molecular formula of 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene?
The molecular formula of 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene is C18H14O3.
What is the molecular weight of 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene?
The molecular weight of 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene is 278.0943 g/mol.
Where can I buy 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene?
You can request a quote for 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydroxy-1,2-epoxybenzo(c)phenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.