![(7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol structure](/static/products/1047/104761-54-8.webp)
(7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
TL;DR: (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol (CAS 104761-54-8) is a chemical compound with molecular formula C20H21FO2 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
Also Known As: KST-1A0678, N,N-diethyl-2-hydroxy-3-phenylbenzamide, (7r,12s)-5-fluoro-7,12-dimethyl-1,2,3,4,7,12-hexahydrotetraphene-7,12-diol, (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol, Benz(a)anthracene-7,12-diol, 5-fluoro-1,2,3,4,7,12-hexahydro-7,12-dimethyl-, cis-
| Molecular Formula | C20H21FO2 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.15256 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 104761-54-8 |
|---|---|
| SMILES | C[C@]1(C2=CC=CC=C2[C@](C3=C4CCCCC4=C(C=C31)F)(C)O)O |
| InChIKey | VCJYXSPVNFOHNP-UXHICEINSA-N |
Product Overview
(7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol (CAS 104761-54-8), with molecular formula C20H21FO2 and molecular weight 312.15 g/mol. IUPAC: (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol.
Chemical Property Profile of (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
Property Insights of (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol
The XLogP value of 3.5 indicates that (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-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, (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-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 (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol?
The CAS number of (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol is 104761-54-8.
What is the molecular formula of (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol?
The molecular formula of (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol is C20H21FO2.
What is the molecular weight of (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol?
The molecular weight of (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol is 312.15 g/mol.
Where can I buy (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol?
You can request a quote for (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol?
Yes, KEHONG BIO provides custom synthesis services for (7R,12S)-5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.