Urea, 1-(4-heptyl)-3-methyl-
TL;DR: Urea, 1-(4-heptyl)-3-methyl- (CAS 5347-45-5) is a chemical compound with molecular formula C9H20N2O and molecular weight 172.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-heptan-4-yl-3-methylurea
Also Known As: 1-heptan-4-yl-3-methylurea, 1-(4-Heptyl)-3-methylurea, Urea, 1-(4-heptyl)-3-methyl-, 3-Methyl-1-(1-propylbutyl)urea, 1- -3-METHYLUREA
| Molecular Formula | C9H20N2O |
|---|---|
| Molecular Weight | 172.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.15756 |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 5347-45-5 |
|---|---|
| SMILES | CCCC(CCC)NC(=O)NC |
| InChIKey | GPPQBUWPSSTQRJ-UHFFFAOYSA-N |
Product Overview
Urea, 1-(4-heptyl)-3-methyl- (CAS 5347-45-5), with molecular formula C9H20N2O and molecular weight 172.16 g/mol. IUPAC: 1-heptan-4-yl-3-methylurea.
Chemical Property Profile of Urea, 1-(4-heptyl)-3-methyl-
Property Insights of Urea, 1-(4-heptyl)-3-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-(4-heptyl)-3-methyl-. With a topological polar surface area (TPSA) of 41.1 Ų, Urea, 1-(4-heptyl)-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, 1-(4-heptyl)-3-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, 1-(4-heptyl)-3-methyl-?
The CAS number of Urea, 1-(4-heptyl)-3-methyl- is 5347-45-5.
What is the molecular formula of Urea, 1-(4-heptyl)-3-methyl-?
The molecular formula of Urea, 1-(4-heptyl)-3-methyl- is C9H20N2O.
What is the molecular weight of Urea, 1-(4-heptyl)-3-methyl-?
The molecular weight of Urea, 1-(4-heptyl)-3-methyl- is 172.16 g/mol.
Where can I buy Urea, 1-(4-heptyl)-3-methyl-?
You can request a quote for Urea, 1-(4-heptyl)-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-(4-heptyl)-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-(4-heptyl)-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.