4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester
TL;DR: 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester (CAS 175278-33-8) is a chemical compound with molecular formula C14H11ClO4 and molecular weight 278.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate
Also Known As: 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester, ethyl 4-(5-chlorocarbonyl-2-furyl)benzoate, Ethyl 4-(5-(chlorocarbonyl)furan-2-yl)benzoate, ASISCHEM B52620, 2-(Difluoromethoxy)Bromobenzene
| Molecular Formula | C14H11ClO4 |
|---|---|
| Molecular Weight | 278.03 g/mol |
| LogP | 3.5023 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.03458 |
| Heavy Atoms | 19 |
| Complexity | 598.16345 |
Chemical Identifiers
| CAS Number | 175278-33-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)Cl |
Product Overview
4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester (CAS 175278-33-8), with molecular formula C14H11ClO4 and molecular weight 278.03 g/mol. IUPAC: ethyl 4-(5-carbonochloridoylfuran-2-yl)benzoate.
Chemical Property Profile of 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester
Property Insights of 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester
The XLogP value of 3.5023 indicates that 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester has 0 hydrogen bond donor(s) and 4 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-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester?
The CAS number of 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester is 175278-33-8.
What is the molecular formula of 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester?
The molecular formula of 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester is C14H11ClO4.
What is the molecular weight of 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester?
The molecular weight of 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester is 278.03 g/mol.
Where can I buy 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester?
You can request a quote for 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Chlorocarbonyl-furan-2-yl)-benzoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.