trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol
TL;DR: trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol (CAS 3343-12-2) is a chemical compound with molecular formula C21H18O2 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(11S,12S)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol
Also Known As: MC 11,12-dihydrodiol (E), KST-1A0046, trans-3-Methylcholanthrene-11,12-dihydrodiol, 3-Methylcholanthrene 11,12-dihydrodiol (E), trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 3343-12-2 |
|---|---|
| SMILES | CC1=C2CCC3=C2C(=CC4=C3[C@@H]([C@H](C5=CC=CC=C54)O)O)C=C1 |
| InChIKey | VYBHBOMWVZUGOW-SFTDATJTSA-N |
Product Overview
trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol (CAS 3343-12-2), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: (11S,12S)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol.
Chemical Property Profile of trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol
Property Insights of trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol
The XLogP value of 3.5 indicates that trans-3-Methyl-11,12-dihydrocholanthrene-11,12-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-3-Methyl-11,12-dihydrocholanthrene-11,12-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-3-Methyl-11,12-dihydrocholanthrene-11,12-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-3-Methyl-11,12-dihydrocholanthrene-11,12-diol?
The CAS number of trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol is 3343-12-2.
What is the molecular formula of trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol?
The molecular formula of trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol is C21H18O2.
What is the molecular weight of trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol?
The molecular weight of trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol is 302.13 g/mol.
Where can I buy trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol?
You can request a quote for trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol?
Yes, KEHONG BIO provides custom synthesis services for trans-3-Methyl-11,12-dihydrocholanthrene-11,12-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.