Carbamic acid, 1-methylpropyl ester
TL;DR: Carbamic acid, 1-methylpropyl ester (CAS 2114-15-0) 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.
butan-2-yl carbamate
Also Known As: butan-2-yl carbamate, Ethylurethan, 1-Methylpropyl carbamate, s-butylcarbamate, sec-butyl carbamate
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 1.1 |
| 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 | 82.0 |
Chemical Identifiers
| CAS Number | 2114-15-0 |
|---|---|
| SMILES | CCC(C)OC(=O)N |
| InChIKey | ASSQXZCUYOADEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, 1-methylpropyl ester (CAS 2114-15-0), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: butan-2-yl carbamate.
Chemical Property Profile of Carbamic acid, 1-methylpropyl ester
Property Insights of Carbamic acid, 1-methylpropyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, 1-methylpropyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Carbamic acid, 1-methylpropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, 1-methylpropyl ester 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 Carbamic acid, 1-methylpropyl ester?
The CAS number of Carbamic acid, 1-methylpropyl ester is 2114-15-0.
What is the molecular formula of Carbamic acid, 1-methylpropyl ester?
The molecular formula of Carbamic acid, 1-methylpropyl ester is C5H11NO2.
What is the molecular weight of Carbamic acid, 1-methylpropyl ester?
The molecular weight of Carbamic acid, 1-methylpropyl ester is 117.08 g/mol.
Where can I buy Carbamic acid, 1-methylpropyl ester?
You can request a quote for Carbamic acid, 1-methylpropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, 1-methylpropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 1-methylpropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.