丁基异丙基氨基甲酸酯
TL;DR: 丁基异丙基氨基甲酸酯 (CAS 21308-94-1) 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.
丁基异丙基氨基甲酸酯
butyl N-propan-2-ylcarbamate
Also Known As: butyl propan-2-ylcarbamate, butyl N-propan-2-ylcarbamate, butyl N-isopropyl carbamate, butyl N-(propan-2-yl)carbamate, N-Isopropylcarbamic acid butyl ester
| 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 | 21308-94-1 |
|---|---|
| SMILES | CCCCOC(=O)NC(C)C |
| InChIKey | JMEJUPWADBAAIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基异丙基氨基甲酸酯 (CAS 21308-94-1), with molecular formula C8H17NO2 and molecular weight 159.13 g/mol. IUPAC: butyl N-propan-2-ylcarbamate.
Chemical Property Profile of 丁基异丙基氨基甲酸酯
Property Insights of 丁基异丙基氨基甲酸酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基异丙基氨基甲酸酯. With a topological polar surface area (TPSA) of 38.3 Ų, 丁基异丙基氨基甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁基异丙基氨基甲酸酯 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 丁基异丙基氨基甲酸酯?
The CAS number of 丁基异丙基氨基甲酸酯 is 21308-94-1.
What is the molecular formula of 丁基异丙基氨基甲酸酯?
The molecular formula of 丁基异丙基氨基甲酸酯 is C8H17NO2.
What is the molecular weight of 丁基异丙基氨基甲酸酯?
The molecular weight of 丁基异丙基氨基甲酸酯 is 159.13 g/mol.
Where can I buy 丁基异丙基氨基甲酸酯?
You can request a quote for 丁基异丙基氨基甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基异丙基氨基甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁基异丙基氨基甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.