cis-3-Methylcholanthrene-1,2-diol
TL;DR: cis-3-Methylcholanthrene-1,2-diol (CAS 34408-47-4) is a chemical compound with molecular formula C21H16O2 and molecular weight 300.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
Also Known As: cis-3-Methylcholanthrene-1,2-diol, KST-1A4012, 1,2-Cholanthrenediol, cis-3-methyl-, cis-1,2-Dihydroxy-3-methylcholanthrene, (1r,2s)-3-methyl-1,2-dihydrocyclopenta[ij]tetraphene-1,2-diol
| Molecular Formula | C21H16O2 |
|---|---|
| Molecular Weight | 300.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 300.11502 |
| Heavy Atoms | 23 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 34408-47-4 |
|---|---|
| SMILES | CC1=C2[C@@H]([C@@H](C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O |
| InChIKey | MSPGUHVGYWHMPY-LEWJYISDSA-N |
Product Overview
cis-3-Methylcholanthrene-1,2-diol (CAS 34408-47-4), with molecular formula C21H16O2 and molecular weight 300.12 g/mol. IUPAC: (1R,2S)-3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol.
Chemical Property Profile of cis-3-Methylcholanthrene-1,2-diol
Property Insights of cis-3-Methylcholanthrene-1,2-diol
The XLogP value of 4.2 indicates that cis-3-Methylcholanthrene-1,2-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, cis-3-Methylcholanthrene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-3-Methylcholanthrene-1,2-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 cis-3-Methylcholanthrene-1,2-diol?
The CAS number of cis-3-Methylcholanthrene-1,2-diol is 34408-47-4.
What is the molecular formula of cis-3-Methylcholanthrene-1,2-diol?
The molecular formula of cis-3-Methylcholanthrene-1,2-diol is C21H16O2.
What is the molecular weight of cis-3-Methylcholanthrene-1,2-diol?
The molecular weight of cis-3-Methylcholanthrene-1,2-diol is 300.12 g/mol.
Where can I buy cis-3-Methylcholanthrene-1,2-diol?
You can request a quote for cis-3-Methylcholanthrene-1,2-diol 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-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for cis-3-Methylcholanthrene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.