Isopropyl butylcarbamate
TL;DR: Isopropyl butylcarbamate (CAS 41193-00-4) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-butylcarbamate
Also Known As: isopropyl butylcarbamate, propan-2-yl N-butylcarbamate, Propan-2-yl butylcarbamate, propan-2-ylN-butylcarbamate, magnesium isopropanolatedecanolate
| Molecular Formula | C8H17NO2 |
|---|---|
| Molecular Weight | 159.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 159.12593 |
| Heavy Atoms | 11 |
| Complexity | 113.0 |
Chemical Identifiers
| CAS Number | 41193-00-4 |
|---|---|
| SMILES | CCCCNC(=O)OC(C)C |
| InChIKey | CPAUHNHNGALXSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl butylcarbamate (CAS 41193-00-4), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: propan-2-yl N-butylcarbamate.
Chemical Property Profile of Isopropyl butylcarbamate
Property Insights of Isopropyl butylcarbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl butylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Isopropyl butylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl butylcarbamate 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 Isopropyl butylcarbamate?
The CAS number of Isopropyl butylcarbamate is 41193-00-4.
What is the molecular formula of Isopropyl butylcarbamate?
The molecular formula of Isopropyl butylcarbamate is C8H17NO2.
What is the molecular weight of Isopropyl butylcarbamate?
The molecular weight of Isopropyl butylcarbamate is 159.13 g/mol.
Where can I buy Isopropyl butylcarbamate?
You can request a quote for Isopropyl butylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl butylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl butylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.