3,5-DIacetylanisol
TL;DR: 3,5-DIacetylanisol (CAS 35227-79-3) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-5-methoxyphenyl)ethanone
Also Known As: 3,5-DIacetylanisol, 3,5-Diacetylanisole, 35-DIacetylanisol, 1-(3-acetyl-5-methoxyphenyl)ethanone, 1,1'-(5-Methoxy-1,3-phenylene)diethanone
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 35227-79-3 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC(=C1)OC)C(=O)C |
| InChIKey | MQWOVRDXAJUQFQ-UHFFFAOYSA-N |
Product Overview
3,5-DIacetylanisol (CAS 35227-79-3), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 1-(3-acetyl-5-methoxyphenyl)ethanone.
Chemical Property Profile of 3,5-DIacetylanisol
Property Insights of 3,5-DIacetylanisol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-DIacetylanisol. With a topological polar surface area (TPSA) of 43.4 Ų, 3,5-DIacetylanisol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-DIacetylanisol has 0 hydrogen bond donor(s) and 3 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 3,5-DIacetylanisol?
The CAS number of 3,5-DIacetylanisol is 35227-79-3.
What is the molecular formula of 3,5-DIacetylanisol?
The molecular formula of 3,5-DIacetylanisol is C11H12O3.
What is the molecular weight of 3,5-DIacetylanisol?
The molecular weight of 3,5-DIacetylanisol is 192.08 g/mol.
Where can I buy 3,5-DIacetylanisol?
You can request a quote for 3,5-DIacetylanisol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-DIacetylanisol?
Yes, KEHONG BIO provides custom synthesis services for 3,5-DIacetylanisol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.