Methyl isopropylcarbamate
TL;DR: Methyl isopropylcarbamate (CAS 5602-90-4) 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.
methyl N-propan-2-ylcarbamate
Also Known As: Methyl isopropylcarbamate, Torasemide Impurity 17, Torasemide Impurity 28, methyl N-propan-2-ylcarbamate, methyl N-(isopropyl)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 | 5602-90-4 |
|---|---|
| SMILES | CC(C)NC(=O)OC |
| InChIKey | PWFYXEJZPCACLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl isopropylcarbamate (CAS 5602-90-4), with molecular formula C5H11NO2 and molecular weight 117.08 g/mol. IUPAC: methyl N-propan-2-ylcarbamate.
Chemical Property Profile of Methyl isopropylcarbamate
Property Insights of Methyl isopropylcarbamate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl isopropylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl isopropylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl isopropylcarbamate 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 Methyl isopropylcarbamate?
The CAS number of Methyl isopropylcarbamate is 5602-90-4.
What is the molecular formula of Methyl isopropylcarbamate?
The molecular formula of Methyl isopropylcarbamate is C5H11NO2.
What is the molecular weight of Methyl isopropylcarbamate?
The molecular weight of Methyl isopropylcarbamate is 117.08 g/mol.
Where can I buy Methyl isopropylcarbamate?
You can request a quote for Methyl isopropylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl isopropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl isopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.