![2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE structure](/static/products/519/519012-41-0.png)
2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
TL;DR: 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE (CAS 519012-41-0) is a chemical compound with molecular formula C20H20ClN3O6S2 and molecular weight 497.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-3-nitrobenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-(4-chloro-3-nitrobenzamido)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[(4-chloro-3-nitrobenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C20H20ClN3O6S2 |
|---|---|
| Molecular Weight | 497.05 g/mol |
| LogP | 3.3577 |
| Topological Polar Surface Area | 135.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.04822 |
| Heavy Atoms | 32 |
| Complexity | 1224.1636 |
Chemical Identifiers
| CAS Number | 519012-41-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NC4CCS(=O)(=O)C4 |
Product Overview
2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE (CAS 519012-41-0), with molecular formula C20H20ClN3O6S2 and molecular weight 497.05 g/mol. IUPAC: 2-[(4-chloro-3-nitrobenzoyl)amino]-N-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
Property Insights of 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
The XLogP value of 3.3577 indicates that 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE. Following Lipinski's Rule of Five, 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE has 2 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 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE?
The CAS number of 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE is 519012-41-0.
What is the molecular formula of 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE?
The molecular formula of 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE is C20H20ClN3O6S2.
What is the molecular weight of 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE?
The molecular weight of 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE is 497.05 g/mol.
Where can I buy 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE?
You can request a quote for 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-CHLORO-3-NITROBENZOYL)AMINO]-N-(1,1-DIOXIDOTETRAHYDRO-3-THIENYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.