N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
TL;DR: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide (CAS 896359-18-5) is a chemical compound with molecular formula C19H16N2O3S2 and molecular weight 384.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
Also Known As: F2558-0390, 4-methanesulfonyl-N-[(2Z)-6-methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide, (Z)-N-(6-methyl-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)-4-(methylsulfonyl)benzamide
| Molecular Formula | C19H16N2O3S2 |
|---|---|
| Molecular Weight | 384.06 g/mol |
| LogP | 2.78902 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.06024 |
| Heavy Atoms | 26 |
| Complexity | 1208.3881 |
Chemical Identifiers
| CAS Number | 896359-18-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)S2)CC#C |
Product Overview
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide (CAS 896359-18-5), with molecular formula C19H16N2O3S2 and molecular weight 384.06 g/mol. IUPAC: N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide.
Chemical Property Profile of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
Property Insights of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide
The XLogP value of 2.78902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide. Following Lipinski's Rule of Five, N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide 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 N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
The CAS number of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide is 896359-18-5.
What is the molecular formula of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
The molecular formula of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide is C19H16N2O3S2.
What is the molecular weight of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
The molecular weight of N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide is 384.06 g/mol.
Where can I buy N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
You can request a quote for N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-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-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.