![N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide structure](/static/products/3334/333419-83-3.webp)
N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
TL;DR: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide (CAS 333419-83-3) is a chemical compound with molecular formula C23H18N4O6S and molecular weight 478.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
Also Known As: BAS 02760401, N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide, N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-N'-{4-nitrobenzoyl}thiourea, 1-[2-(3,4-Dimethoxy-phenyl)-benzooxazol-5-yl]-3-(4-nitro-benzoyl)-thiourea
| Molecular Formula | C23H18N4O6S |
|---|---|
| Molecular Weight | 478.09 g/mol |
| LogP | 4.547 |
| Topological Polar Surface Area | 128.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.0947 |
| Heavy Atoms | 34 |
| Complexity | 1400.6151 |
Chemical Identifiers
| CAS Number | 333419-83-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC |
Product Overview
N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide (CAS 333419-83-3), with molecular formula C23H18N4O6S and molecular weight 478.09 g/mol. IUPAC: N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide.
Chemical Property Profile of N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
Property Insights of N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide
The XLogP value of 4.547 indicates that N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.76 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide has 2 hydrogen bond donor(s) and 8 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-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The CAS number of N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is 333419-83-3.
What is the molecular formula of N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The molecular formula of N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is C23H18N4O6S.
What is the molecular weight of N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
The molecular weight of N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide is 478.09 g/mol.
Where can I buy N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
You can request a quote for N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.