4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
TL;DR: 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (CAS 313662-13-4) is a chemical compound with molecular formula C17H13N3OS and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
Also Known As: ChemDiv3_000400, 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide, AB00666782-01, 4-cyano-N-(4,6-dimethylbenzo[d]thiazol-2-yl)benzamide, BRD-K80906338-001-01-7
| Molecular Formula | C17H13N3OS |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 4.03712 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.07794 |
| Heavy Atoms | 22 |
| Complexity | 904.039 |
Chemical Identifiers
| CAS Number | 313662-13-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=CC=C(C=C3)C#N)C |
Product Overview
4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide (CAS 313662-13-4), with molecular formula C17H13N3OS and molecular weight 307.08 g/mol. IUPAC: 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
Property Insights of 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
The XLogP value of 4.03712 indicates that 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)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 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The CAS number of 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is 313662-13-4.
What is the molecular formula of 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The molecular formula of 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is C17H13N3OS.
What is the molecular weight of 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The molecular weight of 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide is 307.08 g/mol.
Where can I buy 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
You can request a quote for 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.