![N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide structure](/static/products/5538/55383-85-2.webp)
N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide
TL;DR: N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide (CAS 55383-85-2) is a chemical compound with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide
Also Known As: BAS 00337769, N-((4-butoxybenzyl)(2-cyanoethyl)carbamothioyl)benzamide, N-[(4-butoxybenzyl)(2-cyanoethyl)carbamothioyl]benzamide, N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide, 3-Benzoyl-1-(4-butoxy-benzyl)-1-(2-cyano-ethyl)-thiourea
| Molecular Formula | C22H25N3O2S |
|---|---|
| Molecular Weight | 395.17 g/mol |
| LogP | 4.29608 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 395.16675 |
| Heavy Atoms | 28 |
| Complexity | 800.7816 |
Chemical Identifiers
| CAS Number | 55383-85-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CN(CCC#N)C(=S)NC(=O)C2=CC=CC=C2 |
Product Overview
N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide (CAS 55383-85-2), with molecular formula C22H25N3O2S and molecular weight 395.17 g/mol. IUPAC: N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide.
Chemical Property Profile of N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide
Property Insights of N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide
The XLogP value of 4.29608 indicates that N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide has 1 hydrogen bond donor(s) and 4 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-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide?
The CAS number of N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide is 55383-85-2.
What is the molecular formula of N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide?
The molecular formula of N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide is C22H25N3O2S.
What is the molecular weight of N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide?
The molecular weight of N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide is 395.17 g/mol.
Where can I buy N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide?
You can request a quote for N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-butoxyphenyl)methyl-(2-cyanoethyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.