![N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide structure](/static/products/3025/302559-79-1.webp)
N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide
TL;DR: N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide (CAS 302559-79-1) is a chemical compound with molecular formula C21H14N4O5S and molecular weight 434.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide
Also Known As: BAS 00565200, N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide, (3,5-DINITROPHENYL)-N-(4-(5-METHYLBENZOTHIAZOL-2-YL)PHENYL)FORMAMIDE, N-[4-(5-Methylbenzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide, N-(4-(5-methylbenzo[d]thiazol-2-yl)phenyl)-3,5-dinitrobenzamide
| Molecular Formula | C21H14N4O5S |
|---|---|
| Molecular Weight | 434.07 g/mol |
| LogP | 5.34042 |
| Topological Polar Surface Area | 128.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.06848 |
| Heavy Atoms | 31 |
| Complexity | 1315.6514 |
Chemical Identifiers
| CAS Number | 302559-79-1 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide (CAS 302559-79-1), with molecular formula C21H14N4O5S and molecular weight 434.07 g/mol. IUPAC: N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide.
Chemical Property Profile of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide
Property Insights of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide
The XLogP value of 5.34042 indicates that N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-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 N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide. Following Lipinski's Rule of Five, N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide?
The CAS number of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide is 302559-79-1.
What is the molecular formula of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide?
The molecular formula of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide is C21H14N4O5S.
What is the molecular weight of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide?
The molecular weight of N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide is 434.07 g/mol.
Where can I buy N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide?
You can request a quote for N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-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 N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.