![isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate structure](/static/products/4449/444924-92-9.webp)
isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 444924-92-9) is a chemical compound with molecular formula C27H30N2O5S and molecular weight 494.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate, propan-2-yl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate, isopropyl 4-(4-isobutylphenyl)-5-methyl-2-(2-(4-nitrophenyl)acetamido)thiophene-3-carboxylate, methylethyl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-[2-(4-nitrophenyl)acetylam ino]thiophene-3-carboxylate, propan-2-yl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-{[(4-nitrophenyl)acetyl]amino}thiophene-3-carboxylate
| Molecular Formula | C27H30N2O5S |
|---|---|
| Molecular Weight | 494.19 g/mol |
| LogP | 6.57662 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.18753 |
| Heavy Atoms | 35 |
| Complexity | 1211.6187 |
Chemical Identifiers
| CAS Number | 444924-92-9 |
|---|---|
| SMILES | CC1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)C3=CC=C(C=C3)CC(C)C |
Product Overview
isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate (CAS 444924-92-9), with molecular formula C27H30N2O5S and molecular weight 494.19 g/mol. IUPAC: propan-2-yl 5-methyl-4-[4-(2-methylpropyl)phenyl]-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate
The XLogP value of 6.57662 indicates that isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-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-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-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-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate is 444924-92-9.
What is the molecular formula of isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate is C27H30N2O5S.
What is the molecular weight of isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate is 494.19 g/mol.
Where can I buy isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-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-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-[({4-nitrophenyl}acetyl)amino]-4-(4-isobutylphenyl)-5-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.