Isopropyl difluorocarbamate
TL;DR: Isopropyl difluorocarbamate (CAS 24425-18-1) is a chemical compound with molecular formula C4H7F2NO2 and molecular weight 139.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N,N-difluorocarbamate
Also Known As: Isopropyl difluorocarbamate, Isopropyl N,N-difluorocarbamate, Isopropyl difluorocarbamate #, propan-2-yl N,N-difluorocarbamate, Difluorocarbamic acid isopropyl ester
| Molecular Formula | C4H7F2NO2 |
|---|---|
| Molecular Weight | 139.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.04448 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 24425-18-1 |
|---|---|
| SMILES | CC(C)OC(=O)N(F)F |
| InChIKey | LMXCSGPOLFPKBA-UHFFFAOYSA-N |
Product Overview
Isopropyl difluorocarbamate (CAS 24425-18-1), with molecular formula C4H7F2NO2 and molecular weight 139.04 g/mol. IUPAC: propan-2-yl N,N-difluorocarbamate.
Chemical Property Profile of Isopropyl difluorocarbamate
Property Insights of Isopropyl difluorocarbamate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl difluorocarbamate. With a topological polar surface area (TPSA) of 29.5 Ų, Isopropyl difluorocarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl difluorocarbamate has 0 hydrogen bond donor(s) and 4 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 difluorocarbamate?
The CAS number of Isopropyl difluorocarbamate is 24425-18-1.
What is the molecular formula of Isopropyl difluorocarbamate?
The molecular formula of Isopropyl difluorocarbamate is C4H7F2NO2.
What is the molecular weight of Isopropyl difluorocarbamate?
The molecular weight of Isopropyl difluorocarbamate is 139.04 g/mol.
Where can I buy Isopropyl difluorocarbamate?
You can request a quote for Isopropyl difluorocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl difluorocarbamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl difluorocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.