(1,1-Dimethylheptyl)urea
TL;DR: (1,1-Dimethylheptyl)urea (CAS 5934-81-6) is a chemical compound with molecular formula C10H22N2O and molecular weight 186.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyloctan-2-ylurea
Also Known As: 2-methyloctan-2-ylurea, 1-(2-methyloctan-2-yl)urea, (1,1-DIMETHYLHEPTYL)UREA, DUXCOTKQMWMAPC-UHFFFAOYSA, Urea,N-(1,1-dimethylheptyl)-
| Molecular Formula | C10H22N2O |
|---|---|
| Molecular Weight | 186.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 186.17322 |
| Heavy Atoms | 13 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 5934-81-6 |
|---|---|
| SMILES | CCCCCCC(C)(C)NC(=O)N |
| InChIKey | CAFAJXJNVURQRO-UHFFFAOYSA-N |
Product Overview
(1,1-Dimethylheptyl)urea (CAS 5934-81-6), with molecular formula C10H22N2O and molecular weight 186.17 g/mol. IUPAC: 2-methyloctan-2-ylurea.
Chemical Property Profile of (1,1-Dimethylheptyl)urea
Property Insights of (1,1-Dimethylheptyl)urea
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1-Dimethylheptyl)urea. With a topological polar surface area (TPSA) of 55.1 Ų, (1,1-Dimethylheptyl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1-Dimethylheptyl)urea 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 (1,1-Dimethylheptyl)urea?
The CAS number of (1,1-Dimethylheptyl)urea is 5934-81-6.
What is the molecular formula of (1,1-Dimethylheptyl)urea?
The molecular formula of (1,1-Dimethylheptyl)urea is C10H22N2O.
What is the molecular weight of (1,1-Dimethylheptyl)urea?
The molecular weight of (1,1-Dimethylheptyl)urea is 186.17 g/mol.
Where can I buy (1,1-Dimethylheptyl)urea?
You can request a quote for (1,1-Dimethylheptyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,1-Dimethylheptyl)urea?
Yes, KEHONG BIO provides custom synthesis services for (1,1-Dimethylheptyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.