trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol
TL;DR: trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol (CAS 94849-78-2) 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)-8-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-3,4-diol
Also Known As: trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol, 8-Methyl-1,2,3,4-tetrahydrotetraphene-3,4-diol, (3S,4S)-8-methyl-1,2,3,4-tetrahydrotetraphene-3,4-diol, Benz(a)anthracene-3,4-diol, 1,2,3,4-tetrahydro-8-methyl-, trans-, (3S,4S)-8-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-3,4-diol
| Molecular Formula | C19H18O2 |
|---|---|
| Molecular Weight | 278.13 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 | 278.13068 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 94849-78-2 |
|---|---|
| SMILES | CC1=C2C=C3C=CC4=C(C3=CC2=CC=C1)CC[C@@H]([C@H]4O)O |
| InChIKey | LIAYDVBJEITZCR-OALUTQOASA-N |
Product Overview
trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol (CAS 94849-78-2), with molecular formula C19H18O2 and molecular weight 278.13 g/mol. IUPAC: (3S,4S)-8-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-3,4-diol.
Chemical Property Profile of trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol
Property Insights of trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol
The XLogP value of 3.4 indicates that trans-8-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-8-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-8-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-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
The CAS number of trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol is 94849-78-2.
What is the molecular formula of trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
The molecular formula of trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol is C19H18O2.
What is the molecular weight of trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
The molecular weight of trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol is 278.13 g/mol.
Where can I buy trans-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
You can request a quote for trans-8-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-8-Methyl-1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diol?
Yes, KEHONG BIO provides custom synthesis services for trans-8-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.