2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
TL;DR: 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 896271-08-2) is a chemical compound with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F2556-0281, 2-methanesulfonyl-N-[(2E)-3,5,7-trimethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide, (E)-2-(methylsulfonyl)-N-(3,5,7-trimethylbenzo[d]thiazol-2(3H)-ylidene)benzamide
| Molecular Formula | C18H18N2O3S2 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.00124 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.0759 |
| Heavy Atoms | 25 |
| Complexity | 1168.7396 |
Chemical Identifiers
| CAS Number | 896271-08-2 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)C)C |
Product Overview
2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 896271-08-2), with molecular formula C18H18N2O3S2 and molecular weight 374.08 g/mol. IUPAC: 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
Property Insights of 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
The XLogP value of 3.00124 indicates that 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide. Following Lipinski's Rule of Five, 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has 0 hydrogen bond donor(s) and 4 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 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The CAS number of 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is 896271-08-2.
What is the molecular formula of 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular formula of 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is C18H18N2O3S2.
What is the molecular weight of 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular weight of 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is 374.08 g/mol.
Where can I buy 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
You can request a quote for 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methylsulfonyl-N-(3,5,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.