N-Octylurea
TL;DR: N-Octylurea (CAS 2158-10-3) 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.
octylurea
Also Known As: Octylurea, n-OCTYLUREA, Urea, octyl-, 1-OCTYLUREA, n-octyl urea
| Molecular Formula | C9H20N2O |
|---|---|
| Molecular Weight | 172.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 172.15756 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 2158-10-3 |
|---|---|
| SMILES | CCCCCCCCNC(=O)N |
| InChIKey | UBBIDOUCHSVOFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Octylurea (CAS 2158-10-3), with molecular formula C9H20N2O and molecular weight 172.16 g/mol. IUPAC: octylurea.
Chemical Property Profile of N-Octylurea
Property Insights of N-Octylurea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Octylurea. With a topological polar surface area (TPSA) of 55.1 Ų, N-Octylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Octylurea 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 N-Octylurea?
The CAS number of N-Octylurea is 2158-10-3.
What is the molecular formula of N-Octylurea?
The molecular formula of N-Octylurea is C9H20N2O.
What is the molecular weight of N-Octylurea?
The molecular weight of N-Octylurea is 172.16 g/mol.
Where can I buy N-Octylurea?
You can request a quote for N-Octylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Octylurea?
Yes, KEHONG BIO provides custom synthesis services for N-Octylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.