Urea, N-hexyl-N'-methyl-
TL;DR: Urea, N-hexyl-N'-methyl- (CAS 39804-97-2) is a chemical compound with molecular formula C8H18N2O and molecular weight 158.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-3-methylurea
Also Known As: 1-hexyl-3-methylurea, N-hexyl-N'-methylurea, Urea, N-hexyl-N'-methyl-, 1-Hexyl-3-methyl-urea
| Molecular Formula | C8H18N2O |
|---|---|
| Molecular Weight | 158.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.1419 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 39804-97-2 |
|---|---|
| SMILES | CCCCCCNC(=O)NC |
| InChIKey | XQGJMFADIWWUSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, N-hexyl-N'-methyl- (CAS 39804-97-2), with molecular formula C8H18N2O and molecular weight 158.14 g/mol. IUPAC: 1-hexyl-3-methylurea.
Chemical Property Profile of Urea, N-hexyl-N'-methyl-
Property Insights of Urea, N-hexyl-N'-methyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-hexyl-N'-methyl-. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, N-hexyl-N'-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-hexyl-N'-methyl- 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, N-hexyl-N'-methyl-?
The CAS number of Urea, N-hexyl-N'-methyl- is 39804-97-2.
What is the molecular formula of Urea, N-hexyl-N'-methyl-?
The molecular formula of Urea, N-hexyl-N'-methyl- is C8H18N2O.
What is the molecular weight of Urea, N-hexyl-N'-methyl-?
The molecular weight of Urea, N-hexyl-N'-methyl- is 158.14 g/mol.
Where can I buy Urea, N-hexyl-N'-methyl-?
You can request a quote for Urea, N-hexyl-N'-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-hexyl-N'-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-hexyl-N'-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.