3,4-Dimethylphenyl 3-chlorobenzoate
TL;DR: 3,4-Dimethylphenyl 3-chlorobenzoate (CAS 304673-15-2) is a chemical compound with molecular formula C15H13ClO2 and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethylphenyl) 3-chlorobenzoate
Also Known As: 3,4-dimethylphenyl 3-chlorobenzoate, BAS 00581619, (3,4-dimethylphenyl) 3-chlorobenzoate, 3-Chlorobenzoic acid, 3,4-dimethylphenyl ester, 3-Chloro-benzoic acid 3,4-dimethyl-phenyl ester
| Molecular Formula | C15H13ClO2 |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.0604 |
| Heavy Atoms | 18 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 304673-15-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)C2=CC(=CC=C2)Cl)C |
| InChIKey | PLYGAVCVUAMEMN-UHFFFAOYSA-N |
Product Overview
3,4-Dimethylphenyl 3-chlorobenzoate (CAS 304673-15-2), with molecular formula C15H13ClO2 and molecular weight 260.06 g/mol. IUPAC: (3,4-dimethylphenyl) 3-chlorobenzoate.
Chemical Property Profile of 3,4-Dimethylphenyl 3-chlorobenzoate
Property Insights of 3,4-Dimethylphenyl 3-chlorobenzoate
The XLogP value of 4.7 indicates that 3,4-Dimethylphenyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3,4-Dimethylphenyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylphenyl 3-chlorobenzoate 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 3,4-Dimethylphenyl 3-chlorobenzoate?
The CAS number of 3,4-Dimethylphenyl 3-chlorobenzoate is 304673-15-2.
What is the molecular formula of 3,4-Dimethylphenyl 3-chlorobenzoate?
The molecular formula of 3,4-Dimethylphenyl 3-chlorobenzoate is C15H13ClO2.
What is the molecular weight of 3,4-Dimethylphenyl 3-chlorobenzoate?
The molecular weight of 3,4-Dimethylphenyl 3-chlorobenzoate is 260.06 g/mol.
Where can I buy 3,4-Dimethylphenyl 3-chlorobenzoate?
You can request a quote for 3,4-Dimethylphenyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylphenyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylphenyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.