Isobutyl carbamate
TL;DR: Isobutyl carbamate (CAS 543-28-2) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl carbamate
Also Known As: ISOBUTYL CARBAMATE, 2-methylpropyl carbamate, Carbamic acid, 2-methylpropyl ester, Isobutyl=carbamate, O-isobutyl carbamate
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 543-28-2 |
|---|---|
| SMILES | CC(C)COC(=O)N |
| InChIKey | BRUZQRBVNRKLJG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutyl carbamate (CAS 543-28-2), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: 2-methylpropyl carbamate.
Chemical Property Profile of Isobutyl carbamate
Property Insights of Isobutyl carbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl carbamate. With a topological polar surface area (TPSA) of 52.3 Ų, Isobutyl carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl carbamate?
The CAS number of Isobutyl carbamate is 543-28-2.
What is the molecular formula of Isobutyl carbamate?
The molecular formula of Isobutyl carbamate is C5H11NO2.
What is the molecular weight of Isobutyl carbamate?
The molecular weight of Isobutyl carbamate is 117.08 g/mol.
Where can I buy Isobutyl carbamate?
You can request a quote for Isobutyl carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl carbamate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.