Isoamylurethan
TL;DR: Isoamylurethan (CAS 1611-52-5) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(3-methylbutyl)carbamate
Also Known As: Isoamylurethan, ethyl isopentylcarbamate, Ethyl N-(3-methylbutyl)carbamate, Ethyl (3-methylbutyl)carbamate, N-(3-Methylbutyl)carbamic acid ethyl ester
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 1.7786 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 112.65968 |
Chemical Identifiers
| CAS Number | 1611-52-5 |
|---|---|
| SMILES | CCOC(=O)NCCC(C)C |
Product Overview
Isoamylurethan (CAS 1611-52-5), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: ethyl N-(3-methylbutyl)carbamate.
Chemical Property Profile of Isoamylurethan
Property Insights of Isoamylurethan
The XLogP value of 1.7786 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamylurethan. With a topological polar surface area (TPSA) of 38.33 Ų, Isoamylurethan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamylurethan 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 Isoamylurethan?
The CAS number of Isoamylurethan is 1611-52-5.
What is the molecular formula of Isoamylurethan?
The molecular formula of Isoamylurethan is C8H17NO2.
What is the molecular weight of Isoamylurethan?
The molecular weight of Isoamylurethan is 159.13 g/mol.
Where can I buy Isoamylurethan?
You can request a quote for Isoamylurethan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamylurethan?
Yes, KEHONG BIO provides custom synthesis services for Isoamylurethan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.