2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide
TL;DR: 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide (CAS 313241-84-8) is a chemical compound with molecular formula C15H14ClN3O3S and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide
Also Known As: 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide, F0007-0949, 2-chloro-N-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-5-nitrobenzamide
| Molecular Formula | C15H14ClN3O3S |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 4.0818 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.04443 |
| Heavy Atoms | 23 |
| Complexity | 790.2695 |
Chemical Identifiers
| CAS Number | 313241-84-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide (CAS 313241-84-8), with molecular formula C15H14ClN3O3S and molecular weight 351.04 g/mol. IUPAC: 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide
Property Insights of 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide
The XLogP value of 4.0818 indicates that 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide has 1 hydrogen bond donor(s) and 5 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-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
The CAS number of 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide is 313241-84-8.
What is the molecular formula of 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
The molecular formula of 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide is C15H14ClN3O3S.
What is the molecular weight of 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
The molecular weight of 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide is 351.04 g/mol.
Where can I buy 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
You can request a quote for 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide 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-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.