Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-
TL;DR: Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)- (CAS 17822-09-2) is a chemical compound with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
Also Known As: 1-Butyl-3-(alpha-(hydroxymethyl)phenethyl)urea, Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-, 1-butyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea, N'-Butyl-N-(1-hydroxy-3-phenylpropan-2-yl)carbamimidic acid, RefChem:1100781
| Molecular Formula | C14H22N2O2 |
|---|---|
| Molecular Weight | 250.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.16812 |
| Heavy Atoms | 18 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 17822-09-2 |
|---|---|
| SMILES | CCCCNC(=O)NC(CC1=CC=CC=C1)CO |
| InChIKey | HKQKJGIYJQTRPR-UHFFFAOYSA-N |
Product Overview
Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)- (CAS 17822-09-2), with molecular formula C14H22N2O2 and molecular weight 250.17 g/mol. IUPAC: 1-butyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea.
Chemical Property Profile of Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-
Property Insights of Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-. Following Lipinski's Rule of Five, Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)- has 3 hydrogen bond donor(s) and 2 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 Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-?
The CAS number of Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)- is 17822-09-2.
What is the molecular formula of Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-?
The molecular formula of Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)- is C14H22N2O2.
What is the molecular weight of Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-?
The molecular weight of Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)- is 250.17 g/mol.
Where can I buy Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-?
You can request a quote for Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-butyl-3-(alpha-(hydroxymethyl)phenethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.