Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans-
TL;DR: Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans- (CAS 94849-75-9) 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.
(3S,4S)-4-methyl-3H-benzo[a]anthracene-3,4-diol
Also Known As: trans-4-Methylbenz(a)anthracene-3,4-dihydrodiol, Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans-, (3s,4s)-4-methyl-3,4-dihydrotetraphene-3,4-diol, trans-4-Methyl-3,4-dihydrobenz(a)anthracene-3,4-diol, (3S,4S)-4-methyl-3H-benzo[a]anthracene-3,4-diol
| Molecular Formula | C19H16O2 |
|---|---|
| Molecular Weight | 276.12 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 | 276.11502 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 94849-75-9 |
|---|---|
| SMILES | C[C@]1([C@H](C=CC2=C1C=CC3=CC4=CC=CC=C4C=C32)O)O |
| InChIKey | PVEDREZJMLLXDV-OALUTQOASA-N |
Product Overview
Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans- (CAS 94849-75-9), with molecular formula C19H16O2 and molecular weight 276.12 g/mol. IUPAC: (3S,4S)-4-methyl-3H-benzo[a]anthracene-3,4-diol.
Chemical Property Profile of Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans-
Property Insights of Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans-
The XLogP value of 3.2 indicates that Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, 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-4-methyl-, 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-4-methyl-, 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-4-methyl-, trans-?
The CAS number of Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans- is 94849-75-9.
What is the molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans-?
The molecular formula of Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans- is C19H16O2.
What is the molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans-?
The molecular weight of Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans- is 276.12 g/mol.
Where can I buy Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans-?
You can request a quote for Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, 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-4-methyl-, trans-?
Yes, KEHONG BIO provides custom synthesis services for Benz(a)anthracene-3,4-diol, 3,4-dihydro-4-methyl-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.