7,12-Dimethylbenz(a)anthracene-dihydrodiol
TL;DR: 7,12-Dimethylbenz(a)anthracene-dihydrodiol (CAS 2518-00-5) 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.
7,12-dimethylbenzo[a]anthracene-7,12-diol
Also Known As: Dmba-dihydrodiol, Dmba-DD, 7,12-Dimethylbenz[a]anthracene, 7,12-Dimethylbenz(a)anthracene-dihydrodiol, 7,12-dimethylbenzo[a]anthracene-7,12-diol
| Molecular Formula | C20H18O2 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 3.2 |
| 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 | 435.0 |
Chemical Identifiers
| CAS Number | 2518-00-5 |
|---|---|
| SMILES | CC1(C2=C(C3=CC=CC=C3C=C2)C(C4=CC=CC=C41)(C)O)O |
| InChIKey | GJODVXBHWDFIDL-UHFFFAOYSA-N |
Product Overview
7,12-Dimethylbenz(a)anthracene-dihydrodiol (CAS 2518-00-5), with molecular formula C20H18O2 and molecular weight 290.13 g/mol. IUPAC: 7,12-dimethylbenzo[a]anthracene-7,12-diol.
Chemical Property Profile of 7,12-Dimethylbenz(a)anthracene-dihydrodiol
Property Insights of 7,12-Dimethylbenz(a)anthracene-dihydrodiol
The XLogP value of 3.2 indicates that 7,12-Dimethylbenz(a)anthracene-dihydrodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 7,12-Dimethylbenz(a)anthracene-dihydrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,12-Dimethylbenz(a)anthracene-dihydrodiol 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 7,12-Dimethylbenz(a)anthracene-dihydrodiol?
The CAS number of 7,12-Dimethylbenz(a)anthracene-dihydrodiol is 2518-00-5.
What is the molecular formula of 7,12-Dimethylbenz(a)anthracene-dihydrodiol?
The molecular formula of 7,12-Dimethylbenz(a)anthracene-dihydrodiol is C20H18O2.
What is the molecular weight of 7,12-Dimethylbenz(a)anthracene-dihydrodiol?
The molecular weight of 7,12-Dimethylbenz(a)anthracene-dihydrodiol is 290.13 g/mol.
Where can I buy 7,12-Dimethylbenz(a)anthracene-dihydrodiol?
You can request a quote for 7,12-Dimethylbenz(a)anthracene-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,12-Dimethylbenz(a)anthracene-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for 7,12-Dimethylbenz(a)anthracene-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.