3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (CAS 352686-83-0) is a chemical compound with molecular formula C18H13ClN2O3S3 and molecular weight 435.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide, 3-chloro-6-methyl-N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-1-benzothiophene-2-carboxamide, (3-chloro-6-methylbenzo[b]thiophen-2-yl)-N-[6-(methylsulfonyl)benzothiazol-2-y l]carboxamide, 3-CHLORO-N-(6-METHANESULFONYL-1,3-BENZOTHIAZOL-2-YL)-6-METHYL-1-BENZOTHIOPHENE-2-CARBOXAMIDE, 3-CHLORO-N-(6-METHANESULFONYL-13-BENZOTHIAZOL-2-YL)-6-METHYL-1-BENZOTHIOPHENE-2-CARBOXAMIDE
| Molecular Formula | C18H13ClN2O3S3 |
|---|---|
| Molecular Weight | 435.98 g/mol |
| LogP | 5.12862 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.9777 |
| Heavy Atoms | 27 |
| Complexity | 1322.6304 |
Chemical Identifiers
| CAS Number | 352686-83-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)Cl |
Product Overview
3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide (CAS 352686-83-0), with molecular formula C18H13ClN2O3S3 and molecular weight 435.98 g/mol. IUPAC: 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 5.12862 indicates that 3-chloro-6-methyl-N-(6-methylsulfonyl-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 76.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-6-methyl-N-(6-methylsulfonyl-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-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is 352686-83-0.
What is the molecular formula of 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is C18H13ClN2O3S3.
What is the molecular weight of 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide is 435.98 g/mol.
Where can I buy 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-6-methyl-N-(6-methylsulfonyl-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-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-6-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.