Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
TL;DR: Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate (CAS 445229-50-5) is a chemical compound with molecular formula C17H17ClN2O5S and molecular weight 396.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(2-chloro-5-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate, ISOPROPYL 2-(2-CHLORO-5-NITROBENZAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, methylethyl 2-[(2-chloro-5-nitrophenyl)carbonylamino]-4,5-dimethylthiophene-3- carboxylate, propan-2-yl 2-[(2-chloro-5-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate, propan-2-yl 2-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C17H17ClN2O5S |
|---|---|
| Molecular Weight | 396.05 g/mol |
| LogP | 4.74404 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.05466 |
| Heavy Atoms | 26 |
| Complexity | 891.5187 |
Chemical Identifiers
| CAS Number | 445229-50-5 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C |
Product Overview
Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate (CAS 445229-50-5), with molecular formula C17H17ClN2O5S and molecular weight 396.05 g/mol. IUPAC: propan-2-yl 2-[(2-chloro-5-nitrobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
Property Insights of Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
The XLogP value of 4.74404 indicates that Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 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-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The CAS number of Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is 445229-50-5.
What is the molecular formula of Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The molecular formula of Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is C17H17ClN2O5S.
What is the molecular weight of Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
The molecular weight of Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate is 396.05 g/mol.
Where can I buy Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
You can request a quote for Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-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-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-({2-chloro-5-nitrobenzoyl}amino)-4,5-dimethyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.