4-Methylphenyl 3-chloropropanoate
TL;DR: 4-Methylphenyl 3-chloropropanoate (CAS 94102-85-9) 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-methylphenyl) 3-chloropropanoate
Also Known As: 4-methylphenyl 3-chloropropanoate, (4-methylphenyl) 3-chloropropanoate, Propanoic acid, 3-chloro-, 4-methylphenyl ester, Propanoic acid,3-chloro-,4-methylphenyl ester
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.52932 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 279.48114 |
Chemical Identifiers
| CAS Number | 94102-85-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CCCl |
Product Overview
4-Methylphenyl 3-chloropropanoate (CAS 94102-85-9), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: (4-methylphenyl) 3-chloropropanoate.
Chemical Property Profile of 4-Methylphenyl 3-chloropropanoate
Property Insights of 4-Methylphenyl 3-chloropropanoate
The XLogP value of 2.52932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl 3-chloropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylphenyl 3-chloropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl 3-chloropropanoate 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-Methylphenyl 3-chloropropanoate?
The CAS number of 4-Methylphenyl 3-chloropropanoate is 94102-85-9.
What is the molecular formula of 4-Methylphenyl 3-chloropropanoate?
The molecular formula of 4-Methylphenyl 3-chloropropanoate is C10H11ClO2.
What is the molecular weight of 4-Methylphenyl 3-chloropropanoate?
The molecular weight of 4-Methylphenyl 3-chloropropanoate is 198.04 g/mol.
Where can I buy 4-Methylphenyl 3-chloropropanoate?
You can request a quote for 4-Methylphenyl 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-Methylphenyl 3-chloropropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl 3-chloropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.