(4-Chlorophenyl)methyl propanoate
TL;DR: (4-Chlorophenyl)methyl propanoate (CAS 16932-25-5) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl propanoate
Also Known As: 2-chlorobenzyl propionate, (4-chlorophenyl)methyl propanoate, Propionic acid (4-chlorobenzyl) ester, Benzene,1-chloro-2-[(methylseleno)methyl]
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 16932-25-5 |
|---|---|
| SMILES | CCC(=O)OCC1=CC=C(C=C1)Cl |
| InChIKey | RFUPQAPIXZXSRH-UHFFFAOYSA-N |
Product Overview
(4-Chlorophenyl)methyl propanoate (CAS 16932-25-5), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: (4-chlorophenyl)methyl propanoate.
Chemical Property Profile of (4-Chlorophenyl)methyl propanoate
Property Insights of (4-Chlorophenyl)methyl propanoate
The XLogP value of 3.1 indicates that (4-Chlorophenyl)methyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (4-Chlorophenyl)methyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chlorophenyl)methyl propanoate 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 (4-Chlorophenyl)methyl propanoate?
The CAS number of (4-Chlorophenyl)methyl propanoate is 16932-25-5.
What is the molecular formula of (4-Chlorophenyl)methyl propanoate?
The molecular formula of (4-Chlorophenyl)methyl propanoate is C10H11ClO2.
What is the molecular weight of (4-Chlorophenyl)methyl propanoate?
The molecular weight of (4-Chlorophenyl)methyl propanoate is 198.04 g/mol.
Where can I buy (4-Chlorophenyl)methyl propanoate?
You can request a quote for (4-Chlorophenyl)methyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chlorophenyl)methyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Chlorophenyl)methyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.