Carbamic acid, methyl-, 1-methylethyl ester
TL;DR: Carbamic acid, methyl-, 1-methylethyl ester (CAS 10047-90-2) 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.
propan-2-yl N-methylcarbamate
Also Known As: propan-2-yl N-methylcarbamate, isopropyl methylcarbamate, isopropyl N-methylcarbamate, 1-Methylethyl N-methylcarbamate, Isopropyl N-methyl carbamate
| Molecular Formula | C5H11NO2 |
|---|---|
| Molecular Weight | 117.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 117.07898 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 10047-90-2 |
|---|---|
| SMILES | CC(C)OC(=O)NC |
| InChIKey | ZLQUUMARLOVRLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, methyl-, 1-methylethyl ester (CAS 10047-90-2), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: propan-2-yl N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 1-methylethyl ester
Property Insights of Carbamic acid, methyl-, 1-methylethyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, 1-methylethyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Carbamic acid, methyl-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 1-methylethyl 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, methyl-, 1-methylethyl ester?
The CAS number of Carbamic acid, methyl-, 1-methylethyl ester is 10047-90-2.
What is the molecular formula of Carbamic acid, methyl-, 1-methylethyl ester?
The molecular formula of Carbamic acid, methyl-, 1-methylethyl ester is C5H11NO2.
What is the molecular weight of Carbamic acid, methyl-, 1-methylethyl ester?
The molecular weight of Carbamic acid, methyl-, 1-methylethyl ester is 117.08 g/mol.
Where can I buy Carbamic acid, methyl-, 1-methylethyl ester?
You can request a quote for Carbamic acid, methyl-, 1-methylethyl 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, methyl-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.