Heptane-1,4,7-triyl triacetate
TL;DR: Heptane-1,4,7-triyl triacetate (CAS 8014-03-7) is a chemical compound with molecular formula C13H22O6 and molecular weight 274.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-diacetyloxyheptyl acetate
Also Known As: heptane-1,4,7-triyl triacetate, 4,7-diacetyloxyheptyl acetate, 1,7-HEPTANETRIOL, TRIACETATEE, 1,4,7-Heptanetriol,1,4,7-triacetate, RefChem:347230
| Molecular Formula | C13H22O6 |
|---|---|
| Molecular Weight | 274.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 274.14163 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 8014-03-7 |
|---|---|
| SMILES | CC(=O)OCCCC(CCCOC(=O)C)OC(=O)C |
| InChIKey | MXYSYQUKHUKAPJ-UHFFFAOYSA-N |
Product Overview
Heptane-1,4,7-triyl triacetate (CAS 8014-03-7), with molecular formula C13H22O6 and molecular weight 274.14 g/mol. IUPAC: 4,7-diacetyloxyheptyl acetate.
Chemical Property Profile of Heptane-1,4,7-triyl triacetate
Property Insights of Heptane-1,4,7-triyl triacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptane-1,4,7-triyl triacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Heptane-1,4,7-triyl triacetate. Following Lipinski's Rule of Five, Heptane-1,4,7-triyl triacetate 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 triacetate?
The CAS number of Heptane-1,4,7-triyl triacetate is 8014-03-7.
What is the molecular formula of Heptane-1,4,7-triyl triacetate?
The molecular formula of Heptane-1,4,7-triyl triacetate is C13H22O6.
What is the molecular weight of Heptane-1,4,7-triyl triacetate?
The molecular weight of Heptane-1,4,7-triyl triacetate is 274.14 g/mol.
Where can I buy Heptane-1,4,7-triyl triacetate?
You can request a quote for Heptane-1,4,7-triyl triacetate 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 triacetate?
Yes, KEHONG BIO provides custom synthesis services for Heptane-1,4,7-triyl triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.