4,5-Diacetyloxypentyl acetate
TL;DR: 4,5-Diacetyloxypentyl acetate (CAS 7540-93-4) is a chemical compound with molecular formula C11H18O6 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diacetyloxypentyl acetate
Also Known As: 4,5-diacetyloxypentyl acetate, 1,2,5-triacetoxypentane, pentane-1,2,5-triyl triacetate, 1,2,5-Trihydroxypentane, 1,2,5-Triacetoxy-pentan
| Molecular Formula | C11H18O6 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 246.11034 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 7540-93-4 |
|---|---|
| SMILES | CC(=O)OCCCC(COC(=O)C)OC(=O)C |
| InChIKey | BRZLKIOVYHEWSE-UHFFFAOYSA-N |
Product Overview
4,5-Diacetyloxypentyl acetate (CAS 7540-93-4), with molecular formula C11H18O6 and molecular weight 246.11 g/mol. IUPAC: 4,5-diacetyloxypentyl acetate.
Chemical Property Profile of 4,5-Diacetyloxypentyl acetate
Property Insights of 4,5-Diacetyloxypentyl acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Diacetyloxypentyl acetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Diacetyloxypentyl acetate. Following Lipinski's Rule of Five, 4,5-Diacetyloxypentyl acetate 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 4,5-Diacetyloxypentyl acetate?
The CAS number of 4,5-Diacetyloxypentyl acetate is 7540-93-4.
What is the molecular formula of 4,5-Diacetyloxypentyl acetate?
The molecular formula of 4,5-Diacetyloxypentyl acetate is C11H18O6.
What is the molecular weight of 4,5-Diacetyloxypentyl acetate?
The molecular weight of 4,5-Diacetyloxypentyl acetate is 246.11 g/mol.
Where can I buy 4,5-Diacetyloxypentyl acetate?
You can request a quote for 4,5-Diacetyloxypentyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Diacetyloxypentyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Diacetyloxypentyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.