anti-Benzo(g)chrysene-11,12-diol-13,14-oxide
TL;DR: anti-Benzo(g)chrysene-11,12-diol-13,14-oxide (CAS 119479-45-7) is a chemical compound with molecular formula C22H16O3 and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16R,18S,19S,20R)-17-oxahexacyclo[12.9.0.02,7.08,13.015,21.016,18]tricosa-1(14),2,4,6,8,10,12,15(21),22-nonaene-19,20-diol
Also Known As: (-)-anti-BCDE, anti-Benzo(g)chrysene-11,12-diol-13,14-oxide, (+/-)-anti-Benzo(g)chrysene 11,12-dihydrodiol-13,14-epoxide, anti-Benzo(g)chrysene 11,12-dihydrodiol 13,14-epoxide, (-)-anti-Benzo(g)chrysene-11,12-dihydrodiol-13,14-epoxide
| Molecular Formula | C22H16O3 |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 328.10995 |
| Heavy Atoms | 25 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 119479-45-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C4=CC=CC=C24)C5=C(C=C3)[C@H]([C@@H]([C@H]6[C@@H]5O6)O)O |
| InChIKey | GZHHSQMUVHHNOY-MBDNFAEBSA-N |
Product Overview
anti-Benzo(g)chrysene-11,12-diol-13,14-oxide (CAS 119479-45-7), with molecular formula C22H16O3 and molecular weight 328.11 g/mol. IUPAC: (16R,18S,19S,20R)-17-oxahexacyclo[12.9.0.02,7.08,13.015,21.016,18]tricosa-1(14),2,4,6,8,10,12,15(21),22-nonaene-19,20-diol.
Chemical Property Profile of anti-Benzo(g)chrysene-11,12-diol-13,14-oxide
Property Insights of anti-Benzo(g)chrysene-11,12-diol-13,14-oxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for anti-Benzo(g)chrysene-11,12-diol-13,14-oxide. With a topological polar surface area (TPSA) of 53.0 Ų, anti-Benzo(g)chrysene-11,12-diol-13,14-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, anti-Benzo(g)chrysene-11,12-diol-13,14-oxide 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-Benzo(g)chrysene-11,12-diol-13,14-oxide?
The CAS number of anti-Benzo(g)chrysene-11,12-diol-13,14-oxide is 119479-45-7.
What is the molecular formula of anti-Benzo(g)chrysene-11,12-diol-13,14-oxide?
The molecular formula of anti-Benzo(g)chrysene-11,12-diol-13,14-oxide is C22H16O3.
What is the molecular weight of anti-Benzo(g)chrysene-11,12-diol-13,14-oxide?
The molecular weight of anti-Benzo(g)chrysene-11,12-diol-13,14-oxide is 328.11 g/mol.
Where can I buy anti-Benzo(g)chrysene-11,12-diol-13,14-oxide?
You can request a quote for anti-Benzo(g)chrysene-11,12-diol-13,14-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anti-Benzo(g)chrysene-11,12-diol-13,14-oxide?
Yes, KEHONG BIO provides custom synthesis services for anti-Benzo(g)chrysene-11,12-diol-13,14-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.