N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
TL;DR: N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide (CAS 313509-07-8) is a chemical compound with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
Also Known As: N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide, F0537-1094, N-(6-chlorobenzo[d]thiazol-2-yl)-3,5-dimethylbenzamide
| Molecular Formula | C16H13ClN2OS |
|---|---|
| Molecular Weight | 316.04 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0437 |
| Heavy Atoms | 21 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 313509-07-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)C |
| InChIKey | VQVITXVICMUGHI-UHFFFAOYSA-N |
Product Overview
N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide (CAS 313509-07-8), with molecular formula C16H13ClN2OS and molecular weight 316.04 g/mol. IUPAC: N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide.
Chemical Property Profile of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
Property Insights of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
The XLogP value of 4.9 indicates that N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide. Following Lipinski's Rule of Five, N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide has 1 hydrogen bond donor(s) and 3 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-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
The CAS number of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide is 313509-07-8.
What is the molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
The molecular formula of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide is C16H13ClN2OS.
What is the molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
The molecular weight of N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide is 316.04 g/mol.
Where can I buy N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
You can request a quote for N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-chloro-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.