4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate
TL;DR: 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate (CAS 302574-83-0) is a chemical compound with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-3,5-dimethylphenyl) 1-benzofuran-2-carboxylate
Also Known As: 4-chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate, AE-641/13212058, (4-chloro-3,5-dimethylphenyl) 1-benzofuran-2-carboxylate, 4-chloro-3,5-dimethylphenyl benzo[d]furan-2-carboxylate
| Molecular Formula | C17H13ClO3 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.05533 |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 302574-83-0 |
|---|---|
| SMILES | CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC3=CC=CC=C3O2 |
| InChIKey | KRSUGHVMWXFUFV-UHFFFAOYSA-N |
Product Overview
4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate (CAS 302574-83-0), with molecular formula C17H13ClO3 and molecular weight 300.06 g/mol. IUPAC: (4-chloro-3,5-dimethylphenyl) 1-benzofuran-2-carboxylate.
Chemical Property Profile of 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate
Property Insights of 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate
The XLogP value of 5.4 indicates that 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.4 Ų, 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate?
The CAS number of 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate is 302574-83-0.
What is the molecular formula of 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate?
The molecular formula of 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate is C17H13ClO3.
What is the molecular weight of 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate?
The molecular weight of 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate is 300.06 g/mol.
Where can I buy 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate?
You can request a quote for 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3,5-dimethylphenyl 1-benzofuran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.