anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
TL;DR: anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene (CAS 75443-72-0) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,6S,7R)-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, (-)-anti-B[c]PDE, KST-1A8664, Benzo(c)phenanthrene 3,4-diol-1,2-epoxide-2
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 75443-72-0 |
|---|---|
| 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-XDNAFOTISA-N |
Product Overview
anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene (CAS 75443-72-0), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (3R,5S,6S,7R)-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.
Chemical Property Profile of anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
Property Insights of anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene. With a topological polar surface area (TPSA) of 53.0 Ų, anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(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
Frequently Asked Questions
What is the CAS number of anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
The CAS number of anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene is 75443-72-0.
What is the molecular formula of anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
The molecular formula of anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene is C18H14O3.
What is the molecular weight of anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
The molecular weight of anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene is 278.09 g/mol.
Where can I buy anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
You can request a quote for anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
Yes, KEHONG BIO provides custom synthesis services for anti-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.