Heptane-1,4,7-triyl tripropanoate
TL;DR: Heptane-1,4,7-triyl tripropanoate (CAS 104762-30-3) is a chemical compound with molecular formula C16H28O6 and molecular weight 316.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-di(propanoyloxy)heptyl propanoate
Also Known As: heptane-1,4,7-triyl tripropanoate, 4,7-di(propanoyloxy)heptyl propanoate
| Molecular Formula | C16H28O6 |
|---|---|
| Molecular Weight | 316.19 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 316.1886 |
| Heavy Atoms | 22 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 104762-30-3 |
|---|---|
| SMILES | CCC(=O)OCCCC(CCCOC(=O)CC)OC(=O)CC |
| InChIKey | KTHPWGNIDCEZKF-UHFFFAOYSA-N |
Product Overview
Heptane-1,4,7-triyl tripropanoate (CAS 104762-30-3), with molecular formula C16H28O6 and molecular weight 316.19 g/mol. IUPAC: 4,7-di(propanoyloxy)heptyl propanoate.
Chemical Property Profile of Heptane-1,4,7-triyl tripropanoate
Property Insights of Heptane-1,4,7-triyl tripropanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptane-1,4,7-triyl tripropanoate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptane-1,4,7-triyl tripropanoate. Following Lipinski's Rule of Five, Heptane-1,4,7-triyl tripropanoate has 0 hydrogen bond donor(s) and 6 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 Heptane-1,4,7-triyl tripropanoate?
The CAS number of Heptane-1,4,7-triyl tripropanoate is 104762-30-3.
What is the molecular formula of Heptane-1,4,7-triyl tripropanoate?
The molecular formula of Heptane-1,4,7-triyl tripropanoate is C16H28O6.
What is the molecular weight of Heptane-1,4,7-triyl tripropanoate?
The molecular weight of Heptane-1,4,7-triyl tripropanoate is 316.19 g/mol.
Where can I buy Heptane-1,4,7-triyl tripropanoate?
You can request a quote for Heptane-1,4,7-triyl tripropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Heptane-1,4,7-triyl tripropanoate?
Yes, KEHONG BIO provides custom synthesis services for Heptane-1,4,7-triyl tripropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.