2-Chloro-5-methylphenyl acetate
TL;DR: 2-Chloro-5-methylphenyl acetate (CAS 88936-12-3) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-5-methylphenyl) acetate
Also Known As: 2-Chloro-5-methylphenyl acetate, (2-chloro-5-methylphenyl) acetate, 2-Chloro-5-methylphenyl acetate #, acetic acid,2-chloro-5-methylphenol, Phenol, 2-chloro-5-methyl-, acetate
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 88936-12-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)Cl)OC(=O)C |
| InChIKey | CDTJBDDSWJQXKP-UHFFFAOYSA-N |
Product Overview
2-Chloro-5-methylphenyl acetate (CAS 88936-12-3), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: (2-chloro-5-methylphenyl) acetate.
Chemical Property Profile of 2-Chloro-5-methylphenyl acetate
Property Insights of 2-Chloro-5-methylphenyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-methylphenyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Chloro-5-methylphenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-5-methylphenyl acetate has 0 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 2-Chloro-5-methylphenyl acetate?
The CAS number of 2-Chloro-5-methylphenyl acetate is 88936-12-3.
What is the molecular formula of 2-Chloro-5-methylphenyl acetate?
The molecular formula of 2-Chloro-5-methylphenyl acetate is C9H9ClO2.
What is the molecular weight of 2-Chloro-5-methylphenyl acetate?
The molecular weight of 2-Chloro-5-methylphenyl acetate is 184.03 g/mol.
Where can I buy 2-Chloro-5-methylphenyl acetate?
You can request a quote for 2-Chloro-5-methylphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-methylphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-methylphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.