anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene
TL;DR: anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene (CAS 64937-39-9) 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.
(4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
Also Known As: Benz(a)anthracene-8,9-diol-10,11-epoxide, syn, anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene, Benz(a)anthracene-10,11-diol-8,9-epoxide, syn-(+/-)-Benz(a)anthracene-8,9-diol-10,11-oxide, Benz(a)anthracene, 8,9,10,11-tetrahydro-8,9-dihydroxy-10,11-epoxy-, anti-
| 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 | 64937-39-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)[C@H]5[C@H](O5)[C@H]([C@@H]4O)O |
| InChIKey | QMVDCUCAPJTHNE-VSZNYVQBSA-N |
Product Overview
anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene (CAS 64937-39-9), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (4S,6R,7S,8R)-5-oxapentacyclo[9.8.0.03,9.04,6.014,19]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol.
Chemical Property Profile of anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene
Property Insights of anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene. With a topological polar surface area (TPSA) of 53.0 Ų, anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene 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-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene?
The CAS number of anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene is 64937-39-9.
What is the molecular formula of anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene?
The molecular formula of anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene is C18H14O3.
What is the molecular weight of anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene?
The molecular weight of anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene is 278.09 g/mol.
Where can I buy anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene?
You can request a quote for anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene?
Yes, KEHONG BIO provides custom synthesis services for anti-8,9,10,11-Tetrahydro-8,9-dihydroxy-10,11-epoxybenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.