![2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide structure](/static/products/835/835888-83-0.png)
2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
TL;DR: 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CAS 835888-83-0) is a chemical compound with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 2-(3-nitro-4-(pyrrolidin-1-yl)benzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, 9-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-8-thiabicyclo[5.3.0]deca-9,11-diene-10-carboxamide
| Molecular Formula | C21H24N4O4S |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 3.8766 |
| Topological Polar Surface Area | 118.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.15182 |
| Heavy Atoms | 30 |
| Complexity | 1010.6756 |
Chemical Identifiers
| CAS Number | 835888-83-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-] |
Product Overview
2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CAS 835888-83-0), with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol. IUPAC: 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Property Insights of 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
The XLogP value of 3.8766 indicates that 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide has 2 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 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The CAS number of 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is 835888-83-0.
What is the molecular formula of 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The molecular formula of 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is C21H24N4O4S.
What is the molecular weight of 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The molecular weight of 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is 428.15 g/mol.
Where can I buy 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
You can request a quote for 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.