Isoamyl carbamate
TL;DR: Isoamyl carbamate (CAS 543-86-2) is a chemical compound with molecular formula C6H13NO2 and molecular weight 131.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl carbamate
Also Known As: ISOAMYL CARBAMATE, Isopentyl carbamate, Isoamyl aminoformate, 3-methylbutyl carbamate, Carbamate (isoamyl)
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 543-86-2 |
|---|---|
| SMILES | CC(C)CCOC(=O)N |
| InChIKey | OLCIOXGQTLVZQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoamyl carbamate (CAS 543-86-2), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: 3-methylbutyl carbamate.
Chemical Property Profile of Isoamyl carbamate
Property Insights of Isoamyl carbamate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoamyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, Isoamyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoamyl carbamate 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 Isoamyl carbamate?
The CAS number of Isoamyl carbamate is 543-86-2.
What is the molecular formula of Isoamyl carbamate?
The molecular formula of Isoamyl carbamate is C6H13NO2.
What is the molecular weight of Isoamyl carbamate?
The molecular weight of Isoamyl carbamate is 131.09 g/mol.
Where can I buy Isoamyl carbamate?
You can request a quote for Isoamyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoamyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for Isoamyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.