Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate
TL;DR: Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate (CAS 445258-33-3) is a chemical compound with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-methyl-2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate
Also Known As: isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate, propan-2-yl 5-methyl-2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate, ISOPROPYL 5-METHYL-2-(4-NITROBENZAMIDO)-4-PHENYLTHIOPHENE-3-CARBOXYLATE, methylethyl 5-methyl-2-[(4-nitrophenyl)carbonylamino]-4-phenylthiophene-3-carb oxylate, propan-2-yl 5-methyl-2-{[(4-nitrophenyl)carbonyl]amino}-4-phenylthiophene-3-carboxylate
| Molecular Formula | C22H20N2O5S |
|---|---|
| Molecular Weight | 424.11 g/mol |
| LogP | 5.44922 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.10928 |
| Heavy Atoms | 30 |
| Complexity | 1088.7206 |
Chemical Identifiers
| CAS Number | 445258-33-3 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)C3=CC=CC=C3 |
Product Overview
Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate (CAS 445258-33-3), with molecular formula C22H20N2O5S and molecular weight 424.11 g/mol. IUPAC: propan-2-yl 5-methyl-2-[(4-nitrobenzoyl)amino]-4-phenylthiophene-3-carboxylate.
Chemical Property Profile of Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate
Property Insights of Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate
The XLogP value of 5.44922 indicates that Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-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-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
The CAS number of Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate is 445258-33-3.
What is the molecular formula of Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
The molecular formula of Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate is C22H20N2O5S.
What is the molecular weight of Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
The molecular weight of Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate is 424.11 g/mol.
Where can I buy Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
You can request a quote for Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-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-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-({4-nitrobenzoyl}amino)-5-methyl-4-phenyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.