3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide (CAS 332144-23-7) is a chemical compound with molecular formula C11H6ClN5O3S and molecular weight 322.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-nitro-N-(1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide, 3-chloro-6-nitro-N-(1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide, 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)benzo[b]thiophene-2-carboxamide
| Molecular Formula | C11H6ClN5O3S |
|---|---|
| Molecular Weight | 322.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.98798 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 332144-23-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=C2Cl)C(=O)NN3C=NN=C3 |
| InChIKey | GLLUVMDPDXITHM-UHFFFAOYSA-N |
Product Overview
3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide (CAS 332144-23-7), with molecular formula C11H6ClN5O3S and molecular weight 322.99 g/mol. IUPAC: 3-chloro-6-nitro-N-(1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide 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 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide is 332144-23-7.
What is the molecular formula of 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide is C11H6ClN5O3S.
What is the molecular weight of 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide is 322.99 g/mol.
Where can I buy 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-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 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-nitro-N-(4H-1,2,4-triazol-4-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.