Phenol, 2-chloro-6-methyl-, acetate
TL;DR: Phenol, 2-chloro-6-methyl-, acetate (CAS 6341-98-6) 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-6-methylphenyl) acetate
Also Known As: Phenol, acetate, 2-Chloro-6-methylphenyl acetate, o-Cresol, 6-chloro-, acetate, Phenol, 2-chloro-6-methyl-, acetate, 2-Chloro-6-methylphenol acetate
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.7 |
| 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 | 6341-98-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)Cl)OC(=O)C |
| InChIKey | IRDNJGWKZWNWCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2-chloro-6-methyl-, acetate (CAS 6341-98-6), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: (2-chloro-6-methylphenyl) acetate.
Chemical Property Profile of Phenol, 2-chloro-6-methyl-, acetate
Property Insights of Phenol, 2-chloro-6-methyl-, acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-chloro-6-methyl-, acetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenol, 2-chloro-6-methyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-chloro-6-methyl-, 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 Phenol, 2-chloro-6-methyl-, acetate?
The CAS number of Phenol, 2-chloro-6-methyl-, acetate is 6341-98-6.
What is the molecular formula of Phenol, 2-chloro-6-methyl-, acetate?
The molecular formula of Phenol, 2-chloro-6-methyl-, acetate is C9H9ClO2.
What is the molecular weight of Phenol, 2-chloro-6-methyl-, acetate?
The molecular weight of Phenol, 2-chloro-6-methyl-, acetate is 184.03 g/mol.
Where can I buy Phenol, 2-chloro-6-methyl-, acetate?
You can request a quote for Phenol, 2-chloro-6-methyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-chloro-6-methyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-chloro-6-methyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.