Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-
TL;DR: Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- (CAS 82735-47-5) is a chemical compound with molecular formula C19H16O2 and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-11-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-, (3R,4R)-3,4-Dihydro-3,4-dihydroxy-11-methylbenz(a)anthracene, (3R-trans)-11-Methyl-3,4-dihydrobenz(a)anthracene-3,4-diol, 11-Methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol, (3R,4R)-11-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
| Molecular Formula | C19H16O2 |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.11502 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 82735-47-5 |
|---|---|
| SMILES | CC1=C2C=C3C(=CC2=CC=C1)C=CC4=C3C=C[C@H]([C@@H]4O)O |
| InChIKey | XWGXIJRBRACEFA-RTBURBONSA-N |
Product Overview
Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- (CAS 82735-47-5), with molecular formula C19H16O2 and molecular weight 276.12 g/mol. IUPAC: (3R,4R)-11-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol.
Chemical Property Profile of Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-
Property Insights of Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-
The XLogP value of 3.4 indicates that Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- 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 Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-?
The CAS number of Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- is 82735-47-5.
What is the molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-?
The molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- is C19H16O2.
What is the molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-?
The molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- is 276.12 g/mol.
Where can I buy Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-?
You can request a quote for Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-3,4-diol, 3,4-dihydro-11-methyl-, (3R-trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.