Isopropyl dimethylcarbamate
TL;DR: Isopropyl dimethylcarbamate (CAS 38580-89-1) 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.
propan-2-yl N,N-dimethylcarbamate
Also Known As: Isopropyl dimethylcarbamate, propan-2-yl N,N-dimethylcarbamate, isopropyldimethylcarbamate, isopropyl N,N-dimethylcarbamate, isopropyl dimethyl carbamate
| Molecular Formula | C6H13NO2 |
|---|---|
| Molecular Weight | 131.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 131.09464 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 38580-89-1 |
|---|---|
| SMILES | CC(C)OC(=O)N(C)C |
| InChIKey | XFWJFSJDRURPLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl dimethylcarbamate (CAS 38580-89-1), with molecular formula C6H13NO2 and molecular weight 131.09 g/mol. IUPAC: propan-2-yl N,N-dimethylcarbamate.
Chemical Property Profile of Isopropyl dimethylcarbamate
Property Insights of Isopropyl dimethylcarbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl dimethylcarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Isopropyl dimethylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl dimethylcarbamate has 0 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 Isopropyl dimethylcarbamate?
The CAS number of Isopropyl dimethylcarbamate is 38580-89-1.
What is the molecular formula of Isopropyl dimethylcarbamate?
The molecular formula of Isopropyl dimethylcarbamate is C6H13NO2.
What is the molecular weight of Isopropyl dimethylcarbamate?
The molecular weight of Isopropyl dimethylcarbamate is 131.09 g/mol.
Where can I buy Isopropyl dimethylcarbamate?
You can request a quote for Isopropyl dimethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl dimethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl dimethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.