![isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate structure](/static/products/5437/543715-18-0.webp)
isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 543715-18-0) is a chemical compound with molecular formula C21H24ClN3O6S and molecular weight 481.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, ISOPROPYL 2-(5-CHLORO-2-NITROBENZAMIDO)-5-(DIETHYLCARBAMOYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE, methylethyl 5-(N,N-diethylcarbamoyl)-2-[(5-chloro-2-nitrophenyl)carbonylamino] -4-methylthiophene-3-carboxylate, propan-2-yl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C21H24ClN3O6S |
|---|---|
| Molecular Weight | 481.11 g/mol |
| LogP | 4.91762 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 481.10742 |
| Heavy Atoms | 32 |
| Complexity | 1062.0447 |
Chemical Identifiers
| CAS Number | 543715-18-0 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)OC(C)C)C |
Product Overview
isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate (CAS 543715-18-0), with molecular formula C21H24ClN3O6S and molecular weight 481.11 g/mol. IUPAC: propan-2-yl 2-[(5-chloro-2-nitrobenzoyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
The XLogP value of 4.91762 indicates that isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.85 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-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 isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is 543715-18-0.
What is the molecular formula of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is C21H24ClN3O6S.
What is the molecular weight of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate is 481.11 g/mol.
Where can I buy isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({5-chloro-2-nitrobenzoyl}amino)-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.