己二酸-1,6-二烯丙酯
TL;DR: 己二酸-1,6-二烯丙酯 (CAS 2998-04-1) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸-1,6-二烯丙酯
bis(prop-2-enyl) hexanedioate
Also Known As: DIALLYL ADIPATE, Allyl adipate, diallyladipate, Adipic acid, diallyl ester, Diallyl=adipate
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 2998-04-1 |
|---|---|
| SMILES | C=CCOC(=O)CCCCC(=O)OCC=C |
| InChIKey | FPODCVUTIPDRTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸-1,6-二烯丙酯 (CAS 2998-04-1), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: bis(prop-2-enyl) hexanedioate.
Chemical Property Profile of 己二酸-1,6-二烯丙酯
Property Insights of 己二酸-1,6-二烯丙酯
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己二酸-1,6-二烯丙酯. With a topological polar surface area (TPSA) of 52.6 Ų, 己二酸-1,6-二烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸-1,6-二烯丙酯 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 己二酸-1,6-二烯丙酯?
The CAS number of 己二酸-1,6-二烯丙酯 is 2998-04-1.
What is the molecular formula of 己二酸-1,6-二烯丙酯?
The molecular formula of 己二酸-1,6-二烯丙酯 is C12H18O4.
What is the molecular weight of 己二酸-1,6-二烯丙酯?
The molecular weight of 己二酸-1,6-二烯丙酯 is 226.12 g/mol.
Where can I buy 己二酸-1,6-二烯丙酯?
You can request a quote for 己二酸-1,6-二烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸-1,6-二烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 己二酸-1,6-二烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.