![N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide structure](/static/products/3337/333739-23-4.webp)
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
TL;DR: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide (CAS 333739-23-4) 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)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
Also Known As: BAS 02820007, N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide, N-{[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-4-methoxy-3-nitrobenzamide, 1-(4-Benzooxazol-2-yl-phenyl)-3-(4-methoxy-3-nitro-benzoyl)-thiourea, N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-{3-nitro-4-methoxybenzoyl}thiourea
| Molecular Formula | C22H16N4O5S |
|---|---|
| Molecular Weight | 448.08 g/mol |
| LogP | 4.5384 |
| Topological Polar Surface Area | 119.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.08414 |
| Heavy Atoms | 32 |
| Complexity | 1300.9211 |
Chemical Identifiers
| CAS Number | 333739-23-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-] |
Product Overview
N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide (CAS 333739-23-4), with molecular formula C22H16N4O5S and molecular weight 448.08 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide.
Chemical Property Profile of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
Property Insights of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide
The XLogP value of 4.5384 indicates that N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide has 2 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)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide?
The CAS number of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide is 333739-23-4.
What is the molecular formula of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide?
The molecular formula of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide is C22H16N4O5S.
What is the molecular weight of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide?
The molecular weight of N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide is 448.08 g/mol.
Where can I buy N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide?
You can request a quote for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-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)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.