3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
TL;DR: 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 600125-79-9) is a chemical compound with molecular formula C21H14N4O4S and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Also Known As: 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide, 3-benzamido-N-(6-nitrobenzothiazol-2-yl)benzamide, 3-(benzoylamino)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide, N-(6-nitro-1,3-benzothiazol-2-yl)-3-[(phenylcarbonyl)amino]benzamide, N-(6-nitrobenzothiazol-2-yl)[3-(phenylcarbonylamino)phenyl]carboxamide
| Molecular Formula | C21H14N4O4S |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 4.7091 |
| Topological Polar Surface Area | 114.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.07358 |
| Heavy Atoms | 30 |
| Complexity | 1270.4977 |
Chemical Identifiers
| CAS Number | 600125-79-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide (CAS 600125-79-9), with molecular formula C21H14N4O4S and molecular weight 418.07 g/mol. IUPAC: 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide.
Chemical Property Profile of 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
Property Insights of 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
The XLogP value of 4.7091 indicates that 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide. Following Lipinski's Rule of Five, 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide has 2 hydrogen bond donor(s) and 6 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 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The CAS number of 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is 600125-79-9.
What is the molecular formula of 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular formula of 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is C21H14N4O4S.
What is the molecular weight of 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
The molecular weight of 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide is 418.07 g/mol.
Where can I buy 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
You can request a quote for 3-benzamido-N-(6-nitro-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 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-benzamido-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.