N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
TL;DR: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide (CAS 313553-52-5) is a chemical compound with molecular formula C15H14N4O5S and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
Also Known As: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide, F1620-0075, N-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-2,4-dinitrobenzamide, N-(6-methyl-1-thia-3-aza-4,5,6,7-tetrahydro-2-indenyl)2,4-dinitrobenzamide
| Molecular Formula | C15H14N4O5S |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 3.3366 |
| Topological Polar Surface Area | 128.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.06848 |
| Heavy Atoms | 25 |
| Complexity | 878.8018 |
Chemical Identifiers
| CAS Number | 313553-52-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide (CAS 313553-52-5), with molecular formula C15H14N4O5S and molecular weight 362.07 g/mol. IUPAC: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide.
Chemical Property Profile of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
Property Insights of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
The XLogP value of 3.3366 indicates that N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-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 N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide. Following Lipinski's Rule of Five, N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-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 N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
The CAS number of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide is 313553-52-5.
What is the molecular formula of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
The molecular formula of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide is C15H14N4O5S.
What is the molecular weight of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
The molecular weight of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide is 362.07 g/mol.
Where can I buy N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
You can request a quote for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.