Isobutyl urethane
TL;DR: Isobutyl urethane (CAS 539-89-9) is a chemical compound with molecular formula C7H15NO2 and molecular weight 145.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-methylpropyl)carbamate
Also Known As: ISOBUTYL URETHANE, ethyl isobutylcarbamate, Isobutylurethan, Isobutylurethane, N-Isobuthylurethane
| Molecular Formula | C7H15NO2 |
|---|---|
| Molecular Weight | 145.11 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.11028 |
| Heavy Atoms | 10 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 539-89-9 |
|---|---|
| SMILES | CCOC(=O)NCC(C)C |
| InChIKey | XHQBGKPHDZWOHT-UHFFFAOYSA-N |
Product Overview
Isobutyl urethane (CAS 539-89-9), with molecular formula C7H15NO2 and molecular weight 145.11 g/mol. IUPAC: ethyl N-(2-methylpropyl)carbamate.
Chemical Property Profile of Isobutyl urethane
Property Insights of Isobutyl urethane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl urethane. With a topological polar surface area (TPSA) of 38.3 Ų, Isobutyl urethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl urethane has 1 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 Isobutyl urethane?
The CAS number of Isobutyl urethane is 539-89-9.
What is the molecular formula of Isobutyl urethane?
The molecular formula of Isobutyl urethane is C7H15NO2.
What is the molecular weight of Isobutyl urethane?
The molecular weight of Isobutyl urethane is 145.11 g/mol.
Where can I buy Isobutyl urethane?
You can request a quote for Isobutyl urethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl urethane?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl urethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.