![3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide structure](/static/products/3258/325856-12-0.webp)
3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide
TL;DR: 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide (CAS 325856-12-0) is a chemical compound with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
Also Known As: Not Available, BAS 00389025, 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide, 3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide, 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl] -4-nitro-benzamide
| Molecular Formula | C22H17N3O3S |
|---|---|
| Molecular Weight | 403.10 g/mol |
| LogP | 5.74064 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.09906 |
| Heavy Atoms | 29 |
| Complexity | 1246.1399 |
Chemical Identifiers
| CAS Number | 325856-12-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])C |
Product Overview
3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide (CAS 325856-12-0), with molecular formula C22H17N3O3S and molecular weight 403.10 g/mol. IUPAC: 3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide.
Chemical Property Profile of 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide
Property Insights of 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide
The XLogP value of 5.74064 indicates that 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide 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 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide. Following Lipinski's Rule of Five, 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide 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 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide?
The CAS number of 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide is 325856-12-0.
What is the molecular formula of 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide?
The molecular formula of 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide is C22H17N3O3S.
What is the molecular weight of 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide?
The molecular weight of 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide is 403.10 g/mol.
Where can I buy 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide?
You can request a quote for 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-N-[4-(6-methyl-benzothiazol-2-yl)-phenyl]-4-nitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.