N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide
TL;DR: N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide (CAS 896338-10-6) is a chemical compound with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide
Also Known As: 4-methanesulfonyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide, N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide, F2558-0033, N-(2-methylbenzo[d]thiazol-5-yl)-4-(methylsulfonyl)benzamide
| Molecular Formula | C16H14N2O3S2 |
|---|---|
| Molecular Weight | 346.04 g/mol |
| LogP | 3.26052 |
| Topological Polar Surface Area | 76.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.0446 |
| Heavy Atoms | 23 |
| Complexity | 989.84216 |
Chemical Identifiers
| CAS Number | 896338-10-6 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C |
Product Overview
N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide (CAS 896338-10-6), with molecular formula C16H14N2O3S2 and molecular weight 346.04 g/mol. IUPAC: N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide.
Chemical Property Profile of N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide
Property Insights of N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide
The XLogP value of 3.26052 indicates that N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide 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 N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide has 1 hydrogen bond donor(s) and 5 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-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide?
The CAS number of N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide is 896338-10-6.
What is the molecular formula of N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide?
The molecular formula of N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide is C16H14N2O3S2.
What is the molecular weight of N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide?
The molecular weight of N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide is 346.04 g/mol.
Where can I buy N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide?
You can request a quote for N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-1,3-benzothiazol-5-yl)-4-methylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.