1,6-己二醇二丙烯酸酯
TL;DR: 1,6-己二醇二丙烯酸酯 (CAS 13048-33-4) 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.
1,6-己二醇二丙烯酸酯
6-prop-2-enoyloxyhexyl prop-2-enoate
Also Known As: Hexamethylene diacrylate, 1,6-HEXANEDIOL DIACRYLATE, Kayarad HDDA, Sartomer 238, HDDA
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 2.6 |
| 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 |
| Melting Point | 5.0 °C |
| Boiling Point | 107.0 °C |
| Density | 1.01 @25 °C |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Vapor Pressure | 0.01 [mmHg] |
Chemical Identifiers
| CAS Number | 13048-33-4 |
|---|---|
| SMILES | C=CC(=O)OCCCCCCOC(=O)C=C |
| InChIKey | FIHBHSQYSYVZQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-己二醇二丙烯酸酯 (CAS 13048-33-4), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 6-prop-2-enoyloxyhexyl prop-2-enoate.
Chemical Property Profile of 1,6-己二醇二丙烯酸酯
Property Insights of 1,6-己二醇二丙烯酸酯
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-己二醇二丙烯酸酯. With a topological polar surface area (TPSA) of 52.6 Ų, 1,6-己二醇二丙烯酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-己二醇二丙烯酸酯 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 1,6-己二醇二丙烯酸酯?
The CAS number of 1,6-己二醇二丙烯酸酯 is 13048-33-4.
What is the molecular formula of 1,6-己二醇二丙烯酸酯?
The molecular formula of 1,6-己二醇二丙烯酸酯 is C12H18O4.
What is the molecular weight of 1,6-己二醇二丙烯酸酯?
The molecular weight of 1,6-己二醇二丙烯酸酯 is 226.12 g/mol.
Where can I buy 1,6-己二醇二丙烯酸酯?
You can request a quote for 1,6-己二醇二丙烯酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-己二醇二丙烯酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,6-己二醇二丙烯酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.