Triallyl citrate
TL;DR: Triallyl citrate (CAS 6299-73-6) is a chemical compound with molecular formula C15H20O7 and molecular weight 312.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
Also Known As: Triallyl citrate, Citric acid triallyl ester, triallylcitrat, Citric acid, triallyl ester, CITRICACIDTRIALLYLESTER
| Molecular Formula | C15H20O7 |
|---|---|
| Molecular Weight | 312.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 312.1209 |
| Heavy Atoms | 22 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 6299-73-6 |
|---|---|
| SMILES | C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O |
| InChIKey | PLCFYBDYBCOLSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triallyl citrate (CAS 6299-73-6), with molecular formula C15H20O7 and molecular weight 312.12 g/mol. IUPAC: tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate.
Chemical Property Profile of Triallyl citrate
Property Insights of Triallyl citrate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triallyl citrate. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Triallyl citrate. Following Lipinski's Rule of Five, Triallyl citrate has 1 hydrogen bond donor(s) and 7 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 Triallyl citrate?
The CAS number of Triallyl citrate is 6299-73-6.
What is the molecular formula of Triallyl citrate?
The molecular formula of Triallyl citrate is C15H20O7.
What is the molecular weight of Triallyl citrate?
The molecular weight of Triallyl citrate is 312.12 g/mol.
Where can I buy Triallyl citrate?
You can request a quote for Triallyl citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triallyl citrate?
Yes, KEHONG BIO provides custom synthesis services for Triallyl citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.