isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 447430-59-3) is a chemical compound with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, A2567/0109427, propan-2-yl 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, PROPAN-2-YL 2-(2-NITROBENZAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, propan-2-yl 2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H20N2O5S |
|---|---|
| Molecular Weight | 388.11 g/mol |
| LogP | 4.3526 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.10928 |
| Heavy Atoms | 27 |
| Complexity | 903.5001 |
Chemical Identifiers
| CAS Number | 447430-59-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 447430-59-3), with molecular formula C19H20N2O5S and molecular weight 388.11 g/mol. IUPAC: propan-2-yl 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.3526 indicates that isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 447430-59-3.
What is the molecular formula of isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C19H20N2O5S.
What is the molecular weight of isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 388.11 g/mol.
Where can I buy isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 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-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({2-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.