![N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide structure](/static/products/401/401618-28-8.png)
N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide
TL;DR: N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide (CAS 401618-28-8) is a chemical compound with molecular formula C25H23N3O4S and molecular weight 461.14 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]-4-butoxybenzamide
Also Known As: N-((4-(benzo[d]oxazol-2-yl)-3-hydroxyphenyl)carbamothioyl)-4-butoxybenzamide, N-{[(4-benzoxazol-2-yl-3-hydroxyphenyl)amino]thioxomethyl}(4-butoxyphenyl)carb oxamide, N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide, N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-butoxybenzamide
| Molecular Formula | C25H23N3O4S |
|---|---|
| Molecular Weight | 461.14 g/mol |
| LogP | 5.5061 |
| Topological Polar Surface Area | 96.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.14093 |
| Heavy Atoms | 33 |
| Complexity | 1251.5615 |
Chemical Identifiers
| CAS Number | 401618-28-8 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)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}-4-butoxybenzamide (CAS 401618-28-8), with molecular formula C25H23N3O4S and molecular weight 461.14 g/mol. IUPAC: N-[[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-4-butoxybenzamide.
Chemical Property Profile of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide
Property Insights of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide
The XLogP value of 5.5061 indicates that N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide. Following Lipinski's Rule of Five, N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide?
The CAS number of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide is 401618-28-8.
What is the molecular formula of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide?
The molecular formula of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide is C25H23N3O4S.
What is the molecular weight of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide?
The molecular weight of N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide is 461.14 g/mol.
Where can I buy N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide?
You can request a quote for N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide 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}-4-butoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl}-4-butoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.