![N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea structure](/static/products/3334/333419-90-2.webp)
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea
TL;DR: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea (CAS 333419-90-2) 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-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-nitrobenzamide
Also Known As: BAS 02760479, N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea, 1-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-3-(4-nitro-benzoyl)-thiourea, N-((3-(benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-4-nitrobenzamide, N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-nitrobenzamide
| Molecular Formula | C21H14N4O5S |
|---|---|
| Molecular Weight | 434.07 g/mol |
| LogP | 4.2354 |
| Topological Polar Surface Area | 130.53 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.06848 |
| Heavy Atoms | 31 |
| Complexity | 1284.1117 |
Chemical Identifiers
| CAS Number | 333419-90-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])O |
Product Overview
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea (CAS 333419-90-2), with molecular formula C21H14N4O5S and molecular weight 434.07 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea
Property Insights of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea
The XLogP value of 4.2354 indicates that N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea 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-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea. Following Lipinski's Rule of Five, N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea 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-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea?
The CAS number of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea is 333419-90-2.
What is the molecular formula of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea?
The molecular formula of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea is C21H14N4O5S.
What is the molecular weight of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea?
The molecular weight of N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea is 434.07 g/mol.
Where can I buy N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea?
You can request a quote for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea 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-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-N'-{4-nitrobenzoyl}thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.