![N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide structure](/static/products/879/879471-84-8.png)
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
TL;DR: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide (CAS 879471-84-8) is a chemical compound with molecular formula C17H12ClN3O4S2 and molecular weight 421.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Also Known As: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide, N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitrobenzo[b]thiophene-2-carboxamide
| Molecular Formula | C17H12ClN3O4S2 |
|---|---|
| Molecular Weight | 421.00 g/mol |
| LogP | 4.3643 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.9958 |
| Heavy Atoms | 27 |
| Complexity | 1135.094 |
Chemical Identifiers
| CAS Number | 879471-84-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl |
Product Overview
N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide (CAS 879471-84-8), with molecular formula C17H12ClN3O4S2 and molecular weight 421.00 g/mol. IUPAC: N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
Property Insights of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide
The XLogP value of 4.3643 indicates that N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-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 N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide?
The CAS number of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide is 879471-84-8.
What is the molecular formula of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide is C17H12ClN3O4S2.
What is the molecular weight of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide is 421.00 g/mol.
Where can I buy N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-chloro-7-nitro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.