N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea
TL;DR: N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea (CAS 338963-02-3) is a chemical compound with molecular formula C17H17FN2O2S and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[(1-hydroxy-3-phenylpropan-2-yl)carbamothioyl]benzamide
Also Known As: N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea, 3-(4-fluorobenzoyl)-1-(1-hydroxy-3-phenylpropan-2-yl)thiourea, 4-fluoro-N-[(1-hydroxy-3-phenylpropan-2-yl)carbamothioyl]benzamide, N-[(1-benzyl-2-hydroxy-ethyl)carbamothioyl]-4-fluoro-benzamide, 4-fluoro-N-[(1-hydroxy-3-phenyl-propan-2-yl)thiocarbamoyl]benzamide
| Molecular Formula | C17H17FN2O2S |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 2.0336 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.0995 |
| Heavy Atoms | 23 |
| Complexity | 662.0534 |
Chemical Identifiers
| CAS Number | 338963-02-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(CO)NC(=S)NC(=O)C2=CC=C(C=C2)F |
Product Overview
N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea (CAS 338963-02-3), with molecular formula C17H17FN2O2S and molecular weight 332.10 g/mol. IUPAC: 4-fluoro-N-[(1-hydroxy-3-phenylpropan-2-yl)carbamothioyl]benzamide.
Chemical Property Profile of N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea
Property Insights of N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea
The XLogP value of 2.0336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea. Following Lipinski's Rule of Five, N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea has 3 hydrogen bond donor(s) and 3 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-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea?
The CAS number of N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea is 338963-02-3.
What is the molecular formula of N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea?
The molecular formula of N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea is C17H17FN2O2S.
What is the molecular weight of N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea?
The molecular weight of N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea is 332.10 g/mol.
Where can I buy N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea?
You can request a quote for N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-2-hydroxyethyl)-N'-(4-fluorobenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.