rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol
TL;DR: rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol (CAS 74938-86-6) is a chemical compound with molecular formula C20H18O2 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: Dmba 3,4-dihydrodiol, DMBA-3S,4S-dihydrodiol, DMBA-3,4-diol, trans-DMBA-3,4-dihydrodiol, Dmba-3,4-dihydrodiol,trans-
| Molecular Formula | C20H18O2 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 290.13068 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 74938-86-6 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=C[C@@H]([C@H]3O)O |
| InChIKey | YZIIKMBFHLJAFT-ICSRJNTNSA-N |
Product Overview
rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol (CAS 74938-86-6), with molecular formula C20H18O2 and molecular weight 290.13 g/mol. IUPAC: (3S,4S)-7,12-dimethyl-3,4-dihydrobenzo[a]anthracene-3,4-diol.
Chemical Property Profile of rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol
Property Insights of rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol
The XLogP value of 3.7 indicates that rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(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, rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol has 2 hydrogen bond donor(s) and 2 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 rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol?
The CAS number of rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol is 74938-86-6.
What is the molecular formula of rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol?
The molecular formula of rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol is C20H18O2.
What is the molecular weight of rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol?
The molecular weight of rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol is 290.13 g/mol.
Where can I buy rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol?
You can request a quote for rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(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 rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for rel-(3R,4R)-3,4-Dihydro-7,12-dimethylbenz(a)anthracene-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.