4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
TL;DR: 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 683237-46-9) is a chemical compound with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: F1105-0362, 4-tert-butyl-N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, (Z)-4-(tert-butyl)-N-(3-methyl-6-(methylsulfonyl)benzo[d]thiazol-2(3H)-ylidene)benzamide, 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide, N-(3-methyl-6-methylsulfonyl-benzothiazol-2-ylidene)-4-tert-butyl-benzamide
| Molecular Formula | C20H22N2O3S2 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 3.6819 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.10718 |
| Heavy Atoms | 27 |
| Complexity | 1192.738 |
Chemical Identifiers
| CAS Number | 683237-46-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)C |
Product Overview
4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 683237-46-9), with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol. IUPAC: 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
Property Insights of 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide
The XLogP value of 3.6819 indicates that 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-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 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide. Following Lipinski's Rule of Five, 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-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 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
The CAS number of 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide is 683237-46-9.
What is the molecular formula of 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular formula of 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide is C20H22N2O3S2.
What is the molecular weight of 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular weight of 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide is 402.11 g/mol.
Where can I buy 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
You can request a quote for 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-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 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-butyl-N-(3-methyl-6-methylsulfonyl-1,3-benzothiazol-2-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.