格蓬酯
TL;DR: 格蓬酯 (CAS 67634-00-8) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
格蓬酯
prop-2-enyl 2-(3-methylbutoxy)acetate
Also Known As: allyl amyl glycolate, Allyl (3-methylbutoxy)acetate, Allyl 2-(isopentyloxy)acetate, Allyl isoamyl glycolate, amyl allyl glycolate
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
| Density | 0.941 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 67.8 °C |
Chemical Identifiers
| CAS Number | 67634-00-8 |
|---|---|
| SMILES | CC(C)CCOCC(=O)OCC=C |
| InChIKey | XCWPXUNHSPOFGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
格蓬酯 (CAS 67634-00-8), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: prop-2-enyl 2-(3-methylbutoxy)acetate.
Chemical Property Profile of 格蓬酯
Property Insights of 格蓬酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 格蓬酯. With a topological polar surface area (TPSA) of 35.5 Ų, 格蓬酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 格蓬酯 has 0 hydrogen bond donor(s) and 3 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 格蓬酯?
The CAS number of 格蓬酯 is 67634-00-8.
What is the molecular formula of 格蓬酯?
The molecular formula of 格蓬酯 is C10H18O3.
What is the molecular weight of 格蓬酯?
The molecular weight of 格蓬酯 is 186.13 g/mol.
Where can I buy 格蓬酯?
You can request a quote for 格蓬酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 格蓬酯?
Yes, KEHONG BIO provides custom synthesis services for 格蓬酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.