trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol
TL;DR: trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol (CAS 94849-76-0) is a chemical compound with molecular formula C19H18O2 and molecular weight 278.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S)-4-methyl-2,3-dihydro-1H-benzo[a]anthracene-3,4-diol
Also Known As: trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol, (3s,4s)-4-methyl-1,2,3,4-tetrahydrotetraphene-3,4-diol, 4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracen-4-ol, Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-4-methyl-, trans-, (3S,4S)-4-methyl-2,3-dihydro-1H-benzo[a]anthracene-3,4-diol
| Molecular Formula | C19H18O2 |
|---|---|
| Molecular Weight | 278.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.13068 |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 94849-76-0 |
|---|---|
| SMILES | C[C@]1([C@H](CCC2=C1C=CC3=CC4=CC=CC=C4C=C23)O)O |
| InChIKey | HNTPRPWTHDEASX-OALUTQOASA-N |
Product Overview
trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol (CAS 94849-76-0), with molecular formula C19H18O2 and molecular weight 278.13 g/mol. IUPAC: (3S,4S)-4-methyl-2,3-dihydro-1H-benzo[a]anthracene-3,4-diol.
Chemical Property Profile of trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol
Property Insights of trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol
The XLogP value of 3.3 indicates that trans-4-Methyl-1,2,3,4-tetrahydrobenz(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, trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-4-Methyl-1,2,3,4-tetrahydrobenz(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 trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
The CAS number of trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol is 94849-76-0.
What is the molecular formula of trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
The molecular formula of trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol is C19H18O2.
What is the molecular weight of trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
The molecular weight of trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol is 278.13 g/mol.
Where can I buy trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
You can request a quote for trans-4-Methyl-1,2,3,4-tetrahydrobenz(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 trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for trans-4-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.