2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
TL;DR: 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 865181-98-2) is a chemical compound with molecular formula C17H11Cl2N3O3S2 and molecular weight 438.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
Also Known As: 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide, F1365-2926, (Z)-2,4-dichloro-N-(3-(prop-2-yn-1-yl)-6-sulfamoylbenzo[d]thiazol-2(3H)-ylidene)benzamide, 2,4-dichloro-N-[(2Z)-3-(prop-2-yn-1-yl)-6-sulfamoyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]benzamide, 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-benzothiazol-2-ylidene)benzamide
| Molecular Formula | C17H11Cl2N3O3S2 |
|---|---|
| Molecular Weight | 438.96 g/mol |
| LogP | 3.0313 |
| Topological Polar Surface Area | 94.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.96188 |
| Heavy Atoms | 27 |
| Complexity | 1284.9764 |
Chemical Identifiers
| CAS Number | 865181-98-2 |
|---|---|
| SMILES | C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide (CAS 865181-98-2), with molecular formula C17H11Cl2N3O3S2 and molecular weight 438.96 g/mol. IUPAC: 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide.
Chemical Property Profile of 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
Property Insights of 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide
The XLogP value of 3.0313 indicates that 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide. Following Lipinski's Rule of Five, 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide has 1 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 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
The CAS number of 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide is 865181-98-2.
What is the molecular formula of 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular formula of 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide is C17H11Cl2N3O3S2.
What is the molecular weight of 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
The molecular weight of 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide is 438.96 g/mol.
Where can I buy 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
You can request a quote for 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-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 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dichloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.