O-Butylisourea
TL;DR: O-Butylisourea (CAS 57536-14-8) 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.
butyl carbamimidate
Also Known As: O-Butylisourea, butyl carbamimidate, O-butyl-isourea, urea, O-n-butyl-, Butyl imidocarbamate #
| Molecular Formula | C5H12N2O |
|---|---|
| Molecular Weight | 116.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.09496 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 57536-14-8 |
|---|---|
| SMILES | CCCCOC(=N)N |
| InChIKey | RVBFJJRQNLWPJO-UHFFFAOYSA-N |
Product Overview
O-Butylisourea (CAS 57536-14-8), with molecular formula C5H12N2O and molecular weight 116.09 g/mol. IUPAC: butyl carbamimidate.
Chemical Property Profile of O-Butylisourea
Property Insights of O-Butylisourea
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Butylisourea. With a topological polar surface area (TPSA) of 59.1 Ų, O-Butylisourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Butylisourea has 2 hydrogen bond donor(s) and 2 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 O-Butylisourea?
The CAS number of O-Butylisourea is 57536-14-8.
What is the molecular formula of O-Butylisourea?
The molecular formula of O-Butylisourea is C5H12N2O.
What is the molecular weight of O-Butylisourea?
The molecular weight of O-Butylisourea is 116.09 g/mol.
Where can I buy O-Butylisourea?
You can request a quote for O-Butylisourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butylisourea?
Yes, KEHONG BIO provides custom synthesis services for O-Butylisourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.