2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate
TL;DR: 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate (CAS 331672-72-1) is a chemical compound with molecular formula C13H7BrCl2O4 and molecular weight 375.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dichlorophenyl)-2-oxoethyl] 5-bromofuran-2-carboxylate
Also Known As: BAS 00397153, 2-(3,4-dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate, [2-(3,4-dichlorophenyl)-2-oxoethyl] 5-bromofuran-2-carboxylate, 2-(3,4-DICHLOROPHENYL)-2-OXOETHYL 5-BROMOFURAN-2-CARBOXYLATE, 5-Bromo-furan-2-carboxylic acid 2-(3,4-dichloro-phenyl)-2-oxo-ethyl ester
| Molecular Formula | C13H7BrCl2O4 |
|---|---|
| Molecular Weight | 375.89 g/mol |
| LogP | 4.3886 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.89047 |
| Heavy Atoms | 20 |
| Complexity | 666.1408 |
Chemical Identifiers
| CAS Number | 331672-72-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)COC(=O)C2=CC=C(O2)Br)Cl)Cl |
Product Overview
2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate (CAS 331672-72-1), with molecular formula C13H7BrCl2O4 and molecular weight 375.89 g/mol. IUPAC: [2-(3,4-dichlorophenyl)-2-oxoethyl] 5-bromofuran-2-carboxylate.
Chemical Property Profile of 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate
Property Insights of 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate
The XLogP value of 4.3886 indicates that 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate 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 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate?
The CAS number of 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate is 331672-72-1.
What is the molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate?
The molecular formula of 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate is C13H7BrCl2O4.
What is the molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate?
The molecular weight of 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate is 375.89 g/mol.
Where can I buy 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate?
You can request a quote for 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dichlorophenyl)-2-oxoethyl 5-bromo-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.