2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
TL;DR: 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 865181-72-2) is a chemical compound with molecular formula C18H13BrN2O3S2 and molecular weight 447.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide, F1365-2788, 2-bromo-N-[(2Z)-6-methanesulfonyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, (Z)-2-bromo-N-(6-(methylsulfonyl)-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-ylidene)benzamide, 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C18H13BrN2O3S2 |
|---|---|
| Molecular Weight | 447.96 g/mol |
| LogP | 3.2431 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.9551 |
| Heavy Atoms | 26 |
| Complexity | 1231.29 |
Chemical Identifiers
| CAS Number | 865181-72-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3Br)S2)CC#C |
Product Overview
2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 865181-72-2), with molecular formula C18H13BrN2O3S2 and molecular weight 447.96 g/mol. IUPAC: 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
Property Insights of 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
The XLogP value of 3.2431 indicates that 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-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-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide. Following Lipinski's Rule of Five, 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-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-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
The CAS number of 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide is 865181-72-2.
What is the molecular formula of 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular formula of 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide is C18H13BrN2O3S2.
What is the molecular weight of 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular weight of 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide is 447.96 g/mol.
Where can I buy 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
You can request a quote for 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-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-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.