m-Toluic acid, 4-chlorophenyl ester
TL;DR: m-Toluic acid, 4-chlorophenyl ester (CAS 444068-02-4) is a chemical compound with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 3-methylbenzoate
Also Known As: 4-chlorophenyl 3-methylbenzoate, m-Toluic acid, 4-chlorophenyl ester, (4-chlorophenyl) 3-methylbenzoate, m-Toluylic acid, 4-chlorophenyl ester, 3-Methylbenzoic acid 4-chlorophenyl ester
| Molecular Formula | C14H11ClO2 |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.04475 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 444068-02-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)Cl |
| InChIKey | AFMWNHRHTYUYLU-UHFFFAOYSA-N |
Product Overview
m-Toluic acid, 4-chlorophenyl ester (CAS 444068-02-4), with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol. IUPAC: (4-chlorophenyl) 3-methylbenzoate.
Chemical Property Profile of m-Toluic acid, 4-chlorophenyl ester
Property Insights of m-Toluic acid, 4-chlorophenyl ester
The XLogP value of 5.0 indicates that m-Toluic acid, 4-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, m-Toluic acid, 4-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Toluic acid, 4-chlorophenyl ester 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 m-Toluic acid, 4-chlorophenyl ester?
The CAS number of m-Toluic acid, 4-chlorophenyl ester is 444068-02-4.
What is the molecular formula of m-Toluic acid, 4-chlorophenyl ester?
The molecular formula of m-Toluic acid, 4-chlorophenyl ester is C14H11ClO2.
What is the molecular weight of m-Toluic acid, 4-chlorophenyl ester?
The molecular weight of m-Toluic acid, 4-chlorophenyl ester is 246.04 g/mol.
Where can I buy m-Toluic acid, 4-chlorophenyl ester?
You can request a quote for m-Toluic acid, 4-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Toluic acid, 4-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for m-Toluic acid, 4-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.