cis-3-Methylcholanthrene-11,12-dihydrodiol
TL;DR: cis-3-Methylcholanthrene-11,12-dihydrodiol (CAS 7390-95-6) 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,12R)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol
Also Known As: 3-Methylcholanthrene-cis-dihydrodiol, cis-3-Methylcholanthrene-11,12-dihydrodiol, KST-1A8155, 11,12-Cholanthrenediol, 11,12-dihydro-3-methyl-, cis-, cis-11,12-Dihydroxy-11,12-dihydro-3-methylcholanthrene
| 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 | 7390-95-6 |
|---|---|
| SMILES | CC1=C2CCC3=C2C(=CC4=C3[C@H]([C@H](C5=CC=CC=C54)O)O)C=C1 |
| InChIKey | VYBHBOMWVZUGOW-LEWJYISDSA-N |
Product Overview
cis-3-Methylcholanthrene-11,12-dihydrodiol (CAS 7390-95-6), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: (11S,12R)-3-methyl-1,2,11,12-tetrahydrobenzo[j]aceanthrylene-11,12-diol.
Chemical Property Profile of cis-3-Methylcholanthrene-11,12-dihydrodiol
Property Insights of cis-3-Methylcholanthrene-11,12-dihydrodiol
The XLogP value of 3.5 indicates that cis-3-Methylcholanthrene-11,12-dihydrodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, cis-3-Methylcholanthrene-11,12-dihydrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-3-Methylcholanthrene-11,12-dihydrodiol 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 cis-3-Methylcholanthrene-11,12-dihydrodiol?
The CAS number of cis-3-Methylcholanthrene-11,12-dihydrodiol is 7390-95-6.
What is the molecular formula of cis-3-Methylcholanthrene-11,12-dihydrodiol?
The molecular formula of cis-3-Methylcholanthrene-11,12-dihydrodiol is C21H18O2.
What is the molecular weight of cis-3-Methylcholanthrene-11,12-dihydrodiol?
The molecular weight of cis-3-Methylcholanthrene-11,12-dihydrodiol is 302.13 g/mol.
Where can I buy cis-3-Methylcholanthrene-11,12-dihydrodiol?
You can request a quote for cis-3-Methylcholanthrene-11,12-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-3-Methylcholanthrene-11,12-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for cis-3-Methylcholanthrene-11,12-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.