![isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/4450/445023-02-9.webp)
isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 445023-02-9) is a chemical compound with molecular formula C19H20N2O6S and molecular weight 404.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(4-methoxy-3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, propan-2-yl 2-[(4-methoxy-3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, isopropyl 2-(4-methoxy-3-nitrobenzamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ISOPROPYL 2-[(4-METHOXY-3-NITROBENZOYL)AMINO]-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, propan-2-yl 2-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H20N2O6S |
|---|---|
| Molecular Weight | 404.10 g/mol |
| LogP | 3.9711 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.10422 |
| Heavy Atoms | 28 |
| Complexity | 950.14075 |
Chemical Identifiers
| CAS Number | 445023-02-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-] |
Product Overview
isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 445023-02-9), with molecular formula C19H20N2O6S and molecular weight 404.10 g/mol. IUPAC: propan-2-yl 2-[(4-methoxy-3-nitrobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 3.9711 indicates that isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 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 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 445023-02-9.
What is the molecular formula of isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C19H20N2O6S.
What is the molecular weight of isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 404.10 g/mol.
Where can I buy isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-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-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-({3-nitro-4-methoxybenzoyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.