Methyl 3-chloro-4-hydroxyphenylacetate
TL;DR: Methyl 3-chloro-4-hydroxyphenylacetate (CAS 57017-95-5) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-chloro-4-hydroxyphenyl)acetate
Also Known As: Methyl 3-chloro-4-hydroxyphenylacetate, methyl 2-(3-chloro-4-hydroxyphenyl)acetate, methyl 2-(3-chloro-4-hydroxy-phenyl)acetate, Methyl3-chloro-4-hydroxyphenylacetate, methyl (3-chloro-4-hydroxyphenyl)acetate
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 57017-95-5 |
|---|---|
| SMILES | COC(=O)CC1=CC(=C(C=C1)O)Cl |
| InChIKey | ACBFEXJHCINJDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-chloro-4-hydroxyphenylacetate (CAS 57017-95-5), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: methyl 2-(3-chloro-4-hydroxyphenyl)acetate.
Chemical Property Profile of Methyl 3-chloro-4-hydroxyphenylacetate
Property Insights of Methyl 3-chloro-4-hydroxyphenylacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-4-hydroxyphenylacetate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 3-chloro-4-hydroxyphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-4-hydroxyphenylacetate has 1 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 Methyl 3-chloro-4-hydroxyphenylacetate?
The CAS number of Methyl 3-chloro-4-hydroxyphenylacetate is 57017-95-5.
What is the molecular formula of Methyl 3-chloro-4-hydroxyphenylacetate?
The molecular formula of Methyl 3-chloro-4-hydroxyphenylacetate is C9H9ClO3.
What is the molecular weight of Methyl 3-chloro-4-hydroxyphenylacetate?
The molecular weight of Methyl 3-chloro-4-hydroxyphenylacetate is 200.02 g/mol.
Where can I buy Methyl 3-chloro-4-hydroxyphenylacetate?
You can request a quote for Methyl 3-chloro-4-hydroxyphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-4-hydroxyphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-4-hydroxyphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.