Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate
TL;DR: Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate (CAS 445005-35-6) is a chemical compound with molecular formula C18H13BrClNO4S and molecular weight 452.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-(2-chlorophenyl)thiophene-3-carboxylate
Also Known As: ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate, ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-(2-chlorophenyl)thiophene-3-carboxylate, ethyl 2-(5-bromofuran-2-carboxamido)-4-(2-chlorophenyl)thiophene-3-carboxylate, ethyl 2-[(5-bromo(2-furyl))carbonylamino]-4-(2-chlorophenyl)thiophene-3-carbox ylate, ethyl 2-{[(5-bromofuran-2-yl)carbonyl]amino}-4-(2-chlorophenyl)thiophene-3-carboxylate
| Molecular Formula | C18H13BrClNO4S |
|---|---|
| Molecular Weight | 452.94 g/mol |
| LogP | 5.853 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.94373 |
| Heavy Atoms | 26 |
| Complexity | 965.7642 |
Chemical Identifiers
| CAS Number | 445005-35-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)C3=CC=C(O3)Br |
Product Overview
Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate (CAS 445005-35-6), with molecular formula C18H13BrClNO4S and molecular weight 452.94 g/mol. IUPAC: ethyl 2-[(5-bromofuran-2-carbonyl)amino]-4-(2-chlorophenyl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate
Property Insights of Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate
The XLogP value of 5.853 indicates that Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate?
The CAS number of Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate is 445005-35-6.
What is the molecular formula of Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate is C18H13BrClNO4S.
What is the molecular weight of Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate is 452.94 g/mol.
Where can I buy Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(5-bromo-2-furoyl)amino]-4-(2-chlorophenyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.