2,3-Dimethylphenyl 4-chlorobenzoate
TL;DR: 2,3-Dimethylphenyl 4-chlorobenzoate (CAS 5948-97-0) 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.
(2,3-dimethylphenyl) 4-chlorobenzoate
Also Known As: 2,3-dimethylphenyl 4-chlorobenzoate, (2,3-dimethylphenyl) 4-chlorobenzoate
| Molecular Formula | C15H13ClO2 |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 4.5 |
| 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 | 284.0 |
Chemical Identifiers
| CAS Number | 5948-97-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OC(=O)C2=CC=C(C=C2)Cl)C |
| InChIKey | NWWGGPWLJJVSKE-UHFFFAOYSA-N |
Product Overview
2,3-Dimethylphenyl 4-chlorobenzoate (CAS 5948-97-0), with molecular formula C15H13ClO2 and molecular weight 260.06 g/mol. IUPAC: (2,3-dimethylphenyl) 4-chlorobenzoate.
Chemical Property Profile of 2,3-Dimethylphenyl 4-chlorobenzoate
Property Insights of 2,3-Dimethylphenyl 4-chlorobenzoate
The XLogP value of 4.5 indicates that 2,3-Dimethylphenyl 4-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, 2,3-Dimethylphenyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylphenyl 4-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 2,3-Dimethylphenyl 4-chlorobenzoate?
The CAS number of 2,3-Dimethylphenyl 4-chlorobenzoate is 5948-97-0.
What is the molecular formula of 2,3-Dimethylphenyl 4-chlorobenzoate?
The molecular formula of 2,3-Dimethylphenyl 4-chlorobenzoate is C15H13ClO2.
What is the molecular weight of 2,3-Dimethylphenyl 4-chlorobenzoate?
The molecular weight of 2,3-Dimethylphenyl 4-chlorobenzoate is 260.06 g/mol.
Where can I buy 2,3-Dimethylphenyl 4-chlorobenzoate?
You can request a quote for 2,3-Dimethylphenyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylphenyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylphenyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.