4-Methoxyphenyl 3-chloropropanoate
TL;DR: 4-Methoxyphenyl 3-chloropropanoate (CAS 35195-82-5) is a chemical compound with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methoxyphenyl) 3-chloropropanoate
Also Known As: 4-methoxyphenyl 3-chloropropanoate, (4-methoxyphenyl) 3-chloropropanoate, Propanoic acid, 3-chloro-, 4-methoxyphenyl ester, Propanoic acid,3-chloro-, 4-methoxyphenyl ester
| Molecular Formula | C10H11ClO3 |
|---|---|
| Molecular Weight | 214.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.03967 |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 35195-82-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC(=O)CCCl |
| InChIKey | YIDZNXNGEIAZTM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methoxyphenyl 3-chloropropanoate (CAS 35195-82-5), with molecular formula C10H11ClO3 and molecular weight 214.04 g/mol. IUPAC: (4-methoxyphenyl) 3-chloropropanoate.
Chemical Property Profile of 4-Methoxyphenyl 3-chloropropanoate
Property Insights of 4-Methoxyphenyl 3-chloropropanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methoxyphenyl 3-chloropropanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Methoxyphenyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxyphenyl 3-chloropropanoate 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 4-Methoxyphenyl 3-chloropropanoate?
The CAS number of 4-Methoxyphenyl 3-chloropropanoate is 35195-82-5.
What is the molecular formula of 4-Methoxyphenyl 3-chloropropanoate?
The molecular formula of 4-Methoxyphenyl 3-chloropropanoate is C10H11ClO3.
What is the molecular weight of 4-Methoxyphenyl 3-chloropropanoate?
The molecular weight of 4-Methoxyphenyl 3-chloropropanoate is 214.04 g/mol.
Where can I buy 4-Methoxyphenyl 3-chloropropanoate?
You can request a quote for 4-Methoxyphenyl 3-chloropropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxyphenyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxyphenyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.