![N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide structure](/static/products/4296/429648-13-5.webp)
N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
TL;DR: N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide (CAS 429648-13-5) is a chemical compound with molecular formula C22H16N4O5S and molecular weight 448.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
Also Known As: N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide, N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-2-methyl-3-nitrobenzamide, N-[[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitrobenzamide, N-[[(4Z)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitrobenzamide, N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitrobenzamide
| Molecular Formula | C22H16N4O5S |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.54382 |
| Topological Polar Surface Area | 130.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.08414 |
| Heavy Atoms | 32 |
| Complexity | 1349.0164 |
Chemical Identifiers
| CAS Number | 429648-13-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4O3)O |
Product Overview
N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide (CAS 429648-13-5), with molecular formula C22H16N4O5S and molecular weight 448.08 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
Property Insights of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
The XLogP value of 4.54382 indicates that N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide has 3 hydrogen bond donor(s) and 7 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 N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide?
The CAS number of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide is 429648-13-5.
What is the molecular formula of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide?
The molecular formula of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide is C22H16N4O5S.
What is the molecular weight of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide?
The molecular weight of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide is 448.08 g/mol.
Where can I buy N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide?
You can request a quote for N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-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-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.