3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (CAS 545373-00-0) is a chemical compound with molecular formula C17H10ClN3O3S2 and molecular weight 402.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide, (3-chloro-6-methylbenzo[b]thiophen-2-yl)-N-(6-nitrobenzothiazol-2-yl)carboxami de, 3-CHLORO-6-METHYL-N-(6-NITRO-13-BENZOTHIAZOL-2-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE, 3-chloro-N-{6-nitro-1,3-benzothiazol-2-yl}-6-methyl-1-benzothiophene-2-carboxamide
| Molecular Formula | C17H10ClN3O3S2 |
|---|---|
| Molecular Weight | 402.99 g/mol |
| LogP | 5.63332 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.9852 |
| Heavy Atoms | 26 |
| Complexity | 1198.8752 |
Chemical Identifiers
| CAS Number | 545373-00-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (CAS 545373-00-0), with molecular formula C17H10ClN3O3S2 and molecular weight 402.99 g/mol. IUPAC: 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 5.63332 indicates that 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is 545373-00-0.
What is the molecular formula of 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is C17H10ClN3O3S2.
What is the molecular weight of 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is 402.99 g/mol.
Where can I buy 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-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-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.