草酸烯丙酯
TL;DR: 草酸烯丙酯 (CAS 615-99-6) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
草酸烯丙酯
bis(prop-2-enyl) oxalate
Also Known As: Diallyl oxalate, DIALLYLOXALATE, bis(prop-2-en-1-yl) oxalate, allyl oxalate, Oxalic acid, diallyl ester
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 615-99-6 |
|---|---|
| SMILES | C=CCOC(=O)C(=O)OCC=C |
| InChIKey | BKXRKRANFLFTFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
草酸烯丙酯 (CAS 615-99-6), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: bis(prop-2-enyl) oxalate.
Chemical Property Profile of 草酸烯丙酯
Property Insights of 草酸烯丙酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 草酸烯丙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 草酸烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 草酸烯丙酯 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 草酸烯丙酯?
The CAS number of 草酸烯丙酯 is 615-99-6.
What is the molecular formula of 草酸烯丙酯?
The molecular formula of 草酸烯丙酯 is C8H10O4.
What is the molecular weight of 草酸烯丙酯?
The molecular weight of 草酸烯丙酯 is 170.06 g/mol.
Where can I buy 草酸烯丙酯?
You can request a quote for 草酸烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 草酸烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 草酸烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.