2-Acetoxy-3-methylcholanthrene
TL;DR: 2-Acetoxy-3-methylcholanthrene (CAS 7390-93-4) is a chemical compound with molecular formula C23H18O2 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methyl-1,2-dihydrobenzo[j]aceanthrylen-2-yl) acetate
Also Known As: 2-Acetoxy-3-methylcholanthrene, Cholanthren-2-ol, 3-methyl-, acetate, 3-Methylbenz(j)aceanthrylen-2-ol acetate, 2-CHOLANTHRENOL, 3-METHYL-, ACETATE, Benz(j)aceanthrylen-2-ol, 1,2-dihydro-3-methyl-, acetate
| Molecular Formula | C23H18O2 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.13068 |
| Heavy Atoms | 25 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 7390-93-4 |
|---|---|
| SMILES | CC1=C2C(CC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)OC(=O)C |
| InChIKey | DTDNHCYJVIUBGT-UHFFFAOYSA-N |
Product Overview
2-Acetoxy-3-methylcholanthrene (CAS 7390-93-4), with molecular formula C23H18O2 and molecular weight 326.13 g/mol. IUPAC: (3-methyl-1,2-dihydrobenzo[j]aceanthrylen-2-yl) acetate.
Chemical Property Profile of 2-Acetoxy-3-methylcholanthrene
Property Insights of 2-Acetoxy-3-methylcholanthrene
The XLogP value of 5.9 indicates that 2-Acetoxy-3-methylcholanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Acetoxy-3-methylcholanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetoxy-3-methylcholanthrene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Acetoxy-3-methylcholanthrene?
The CAS number of 2-Acetoxy-3-methylcholanthrene is 7390-93-4.
What is the molecular formula of 2-Acetoxy-3-methylcholanthrene?
The molecular formula of 2-Acetoxy-3-methylcholanthrene is C23H18O2.
What is the molecular weight of 2-Acetoxy-3-methylcholanthrene?
The molecular weight of 2-Acetoxy-3-methylcholanthrene is 326.13 g/mol.
Where can I buy 2-Acetoxy-3-methylcholanthrene?
You can request a quote for 2-Acetoxy-3-methylcholanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetoxy-3-methylcholanthrene?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetoxy-3-methylcholanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.