Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate
TL;DR: Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate (CAS 444924-50-9) is a chemical compound with molecular formula C18H13ClN2O6S and molecular weight 420.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-(furan-2-yl)thiophene-3-carboxylate
Also Known As: ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate, ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-(furan-2-yl)thiophene-3-carboxylate, ETHYL 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-4-(2-FURYL)-3-THIOPHENECARBOXYLATE, ethyl 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-4-(furan-2-yl)thiophene-3-carboxylate
| Molecular Formula | C18H13ClN2O6S |
|---|---|
| Molecular Weight | 420.02 g/mol |
| LogP | 4.9987 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.01828 |
| Heavy Atoms | 28 |
| Complexity | 1044.5355 |
Chemical Identifiers
| CAS Number | 444924-50-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=CO2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate (CAS 444924-50-9), with molecular formula C18H13ClN2O6S and molecular weight 420.02 g/mol. IUPAC: ethyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-(furan-2-yl)thiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate
Property Insights of Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate
The XLogP value of 4.9987 indicates that Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 7 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 Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate?
The CAS number of Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate is 444924-50-9.
What is the molecular formula of Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate is C18H13ClN2O6S.
What is the molecular weight of Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate is 420.02 g/mol.
Where can I buy Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-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-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-({4-chloro-3-nitrobenzoyl}amino)-4-(2-furyl)-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.