![2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide structure](/static/products/2894/289491-08-3.webp)
2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
TL;DR: 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide (CAS 289491-08-3) is a chemical compound with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
Also Known As: 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide, AH-034/33496040, 2-chloro-4-nitro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide, 2-chloro-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-4-nitrobenzamide, (2-chloro-4-nitrophenyl)-N-[4-(6-methylbenzothiazol-2-yl)phenyl]carboxamide
| Molecular Formula | C21H14ClN3O3S |
|---|---|
| Molecular Weight | 423.04 g/mol |
| LogP | 6.08562 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.04443 |
| Heavy Atoms | 29 |
| Complexity | 1252.0088 |
Chemical Identifiers
| CAS Number | 289491-08-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide (CAS 289491-08-3), with molecular formula C21H14ClN3O3S and molecular weight 423.04 g/mol. IUPAC: 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide.
Chemical Property Profile of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
Property Insights of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
The XLogP value of 6.08562 indicates that 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-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-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide?
The CAS number of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide is 289491-08-3.
What is the molecular formula of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide?
The molecular formula of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide is C21H14ClN3O3S.
What is the molecular weight of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide?
The molecular weight of 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide is 423.04 g/mol.
Where can I buy 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide?
You can request a quote for 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-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-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.