![N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide structure](/static/products/4262/426223-82-7.webp)
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
TL;DR: N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide (CAS 426223-82-7) is a chemical compound with molecular formula C22H16N4O4S2 and molecular weight 464.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-methyl-3-nitrobenzamide
Also Known As: N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide, N-((3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-4-methyl-3-nitrobenzamide, N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-3-nitrobenzamide, N-[[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-3-nitrobenzamide, N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-3-nitrobenzamide
| Molecular Formula | C22H16N4O4S2 |
|---|---|
| Molecular Weight | 464.06 g/mol |
| LogP | 5.01232 |
| Topological Polar Surface Area | 117.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.0613 |
| Heavy Atoms | 32 |
| Complexity | 1350.626 |
Chemical Identifiers
| CAS Number | 426223-82-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4S3)[N+](=O)[O-] |
Product Overview
N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide (CAS 426223-82-7), with molecular formula C22H16N4O4S2 and molecular weight 464.06 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
Property Insights of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide
The XLogP value of 5.01232 indicates that N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.39 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide has 3 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-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
The CAS number of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide is 426223-82-7.
What is the molecular formula of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
The molecular formula of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide is C22H16N4O4S2.
What is the molecular weight of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
The molecular weight of N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide is 464.06 g/mol.
Where can I buy N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
You can request a quote for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl}-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.