sec-Butylurea
TL;DR: sec-Butylurea (CAS 689-11-2) is a chemical compound with molecular formula C5H12N2O and molecular weight 116.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-ylurea
Also Known As: SEC-BUTYLUREA, N-sec-Butylurea, (butan-2-yl)urea, Urea, (1-methylpropyl)-, Urea, sec-butyl-
| Molecular Formula | C5H12N2O |
|---|---|
| Molecular Weight | 116.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.09496 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
| Solubility | SOL IN ALCOHOL, ETHER |
| Vapor Pressure | 0.06 [mmHg] |
Chemical Identifiers
| CAS Number | 689-11-2 |
|---|---|
| SMILES | CCC(C)NC(=O)N |
| InChIKey | CBRSBDUOPJQVMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
sec-Butylurea (CAS 689-11-2), with molecular formula C5H12N2O and molecular weight 116.09 g/mol. IUPAC: butan-2-ylurea.
Chemical Property Profile of sec-Butylurea
Property Insights of sec-Butylurea
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sec-Butylurea. With a topological polar surface area (TPSA) of 55.1 Ų, sec-Butylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sec-Butylurea 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 sec-Butylurea?
The CAS number of sec-Butylurea is 689-11-2.
What is the molecular formula of sec-Butylurea?
The molecular formula of sec-Butylurea is C5H12N2O.
What is the molecular weight of sec-Butylurea?
The molecular weight of sec-Butylurea is 116.09 g/mol.
Where can I buy sec-Butylurea?
You can request a quote for sec-Butylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sec-Butylurea?
Yes, KEHONG BIO provides custom synthesis services for sec-Butylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.