Urea, 1-ethyl-3-isobutyl-
TL;DR: Urea, 1-ethyl-3-isobutyl- (CAS 4598-86-1) is a chemical compound with molecular formula C7H16N2O and molecular weight 144.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-(2-methylpropyl)urea
Also Known As: 1-Ethyl-3-isobutylurea, Urea, 1-ethyl-3-isobutyl-, 1-ethyl-3-(2-methylpropyl)urea, Urea, N-ethyl-N'-(2-methylpropyl)-, N-Ethyl-N'-(2-methylpropyl)urea
| Molecular Formula | C7H16N2O |
|---|---|
| Molecular Weight | 144.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 144.12627 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 4598-86-1 |
|---|---|
| SMILES | CCNC(=O)NCC(C)C |
| InChIKey | OSZOVTMNVYQZRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, 1-ethyl-3-isobutyl- (CAS 4598-86-1), with molecular formula C7H16N2O and molecular weight 144.13 g/mol. IUPAC: 1-ethyl-3-(2-methylpropyl)urea.
Chemical Property Profile of Urea, 1-ethyl-3-isobutyl-
Property Insights of Urea, 1-ethyl-3-isobutyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-ethyl-3-isobutyl-. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 1-ethyl-3-isobutyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-ethyl-3-isobutyl- has 2 hydrogen bond donor(s) and 1 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-ethyl-3-isobutyl-?
The CAS number of Urea, 1-ethyl-3-isobutyl- is 4598-86-1.
What is the molecular formula of Urea, 1-ethyl-3-isobutyl-?
The molecular formula of Urea, 1-ethyl-3-isobutyl- is C7H16N2O.
What is the molecular weight of Urea, 1-ethyl-3-isobutyl-?
The molecular weight of Urea, 1-ethyl-3-isobutyl- is 144.13 g/mol.
Where can I buy Urea, 1-ethyl-3-isobutyl-?
You can request a quote for Urea, 1-ethyl-3-isobutyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-ethyl-3-isobutyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-ethyl-3-isobutyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.