(3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol
TL;DR: (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol (CAS 80756-92-9) is a chemical compound with molecular formula C20H17FO2 and molecular weight 308.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-6-fluoro-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol, 2-Azetidinone,3-(1-methylethenyl)-1-(phenylmethyl), (3s,4s)-6-fluoro-7,12-dimethyl-3,4-dihydrotetraphene-3,4-diol, (3S,4S)-6-fluoro-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
| Molecular Formula | C20H17FO2 |
|---|---|
| Molecular Weight | 308.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 308.12125 |
| Heavy Atoms | 23 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 80756-92-9 |
|---|---|
| SMILES | CC1=C2C3=C(C=C(C2=C(C4=CC=CC=C14)C)F)[C@@H]([C@H](C=C3)O)O |
| InChIKey | SHFOMBFUQVKYGO-PXNSSMCTSA-N |
Product Overview
(3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol (CAS 80756-92-9), with molecular formula C20H17FO2 and molecular weight 308.12 g/mol. IUPAC: (3S,4S)-6-fluoro-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol.
Chemical Property Profile of (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol
Property Insights of (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol
The XLogP value of 3.8 indicates that (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol 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 (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol?
The CAS number of (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol is 80756-92-9.
What is the molecular formula of (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol?
The molecular formula of (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol is C20H17FO2.
What is the molecular weight of (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol?
The molecular weight of (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol is 308.12 g/mol.
Where can I buy (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol?
You can request a quote for (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for (3S,4S)-6-Fluoro-7,12-dimethyl-3,4-dihydrobenzo(a)anthracene-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.