2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
TL;DR: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide (CAS 349539-29-3) is a chemical compound with molecular formula C15H9ClN4O5S and molecular weight 392.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Also Known As: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide, F1620-0109, 2-chloro-N-(6-methylbenzo[d]thiazol-2-yl)-3,5-dinitrobenzamide, N-(6-methyl-1,3-benzothiazol-2-yl)2-chloro-3,5-dinitrobenzamide
| Molecular Formula | C15H9ClN4O5S |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 4.32682 |
| Topological Polar Surface Area | 128.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.99823 |
| Heavy Atoms | 26 |
| Complexity | 1081.3291 |
Chemical Identifiers
| CAS Number | 349539-29-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide (CAS 349539-29-3), with molecular formula C15H9ClN4O5S and molecular weight 392.00 g/mol. IUPAC: 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide.
Chemical Property Profile of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
Property Insights of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide
The XLogP value of 4.32682 indicates that 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 7 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-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
The CAS number of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide is 349539-29-3.
What is the molecular formula of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
The molecular formula of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide is C15H9ClN4O5S.
What is the molecular weight of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
The molecular weight of 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide is 392.00 g/mol.
Where can I buy 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
You can request a quote for 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.