![isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate structure](/static/products/4384/438456-07-6.webp)
isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate
TL;DR: isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate (CAS 438456-07-6) is a chemical compound with molecular formula C22H27N3O6S and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate, propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate, ISOPROPYL 5-[(DIETHYLAMINO)CARBONYL]-4-METHYL-2-{[2-(4-NITROPHENYL)ACETYL]AMINO}-3-THIOPHENECARBOXYLATE, propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-{[(4-nitrophenyl)acetyl]amino}thiophene-3-carboxylate
| Molecular Formula | C22H27N3O6S |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 4.19312 |
| Topological Polar Surface Area | 118.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.16205 |
| Heavy Atoms | 32 |
| Complexity | 1009.41864 |
Chemical Identifiers
| CAS Number | 438456-07-6 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)C |
Product Overview
isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate (CAS 438456-07-6), with molecular formula C22H27N3O6S and molecular weight 461.16 g/mol. IUPAC: propan-2-yl 5-(diethylcarbamoyl)-4-methyl-2-[[2-(4-nitrophenyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate
Property Insights of isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate
The XLogP value of 4.19312 indicates that isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-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 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-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 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate?
The CAS number of isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate is 438456-07-6.
What is the molecular formula of isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate?
The molecular formula of isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate is C22H27N3O6S.
What is the molecular weight of isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate?
The molecular weight of isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate is 461.16 g/mol.
Where can I buy isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate?
You can request a quote for isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-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 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 5-[(diethylamino)carbonyl]-2-[({4-nitrophenyl}acetyl)amino]-4-methyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.