甲酸异丙酯
TL;DR: 甲酸异丙酯 (CAS 625-55-8) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲酸异丙酯
propan-2-yl formate
Also Known As: ISOPROPYL FORMATE, propan-2-yl formate, Isopropyl methanoate, Formic Acid Isopropyl Ester, 1-Methylethyl formate
| Molecular Formula | C4H8O2 |
|---|---|
| Molecular Weight | 88.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 88.05243 |
| Heavy Atoms | 6 |
| Complexity | 40.0 |
| Melting Point | -80 °C |
| Boiling Point | 68.2 °C at 760 mm Hg |
| Density | 0.8728 at 20 °C |
| Solubility | Slightly sol in water |
| Flash Point | -5.6 °C (closed cup) |
| Vapor Pressure | 138.0 [mmHg] |
| Refractive Index | 1.3678 at 20 °C |
Chemical Identifiers
| CAS Number | 625-55-8 |
|---|---|
| SMILES | CC(C)OC=O |
| InChIKey | RMOUBSOVHSONPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲酸异丙酯 (CAS 625-55-8), with molecular formula C4H8O2 and molecular weight 88.05 g/mol. IUPAC: propan-2-yl formate.
Chemical Property Profile of 甲酸异丙酯
Property Insights of 甲酸异丙酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲酸异丙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 甲酸异丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲酸异丙酯 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 甲酸异丙酯?
The CAS number of 甲酸异丙酯 is 625-55-8.
What is the molecular formula of 甲酸异丙酯?
The molecular formula of 甲酸异丙酯 is C4H8O2.
What is the molecular weight of 甲酸异丙酯?
The molecular weight of 甲酸异丙酯 is 88.05 g/mol.
Where can I buy 甲酸异丙酯?
You can request a quote for 甲酸异丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲酸异丙酯?
Yes, KEHONG BIO provides custom synthesis services for 甲酸异丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.