1,5-Diacetoxypentane
TL;DR: 1,5-Diacetoxypentane (CAS 6963-44-6) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyloxypentyl acetate
Also Known As: 1,5-Diacetoxypentane, 1,5-Pentanediol diacetate, Pentamethylene acetate, 5-acetyloxypentyl acetate, Pentane-1,5-diyl diacetate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 6963-44-6 |
|---|---|
| SMILES | CC(=O)OCCCCCOC(=O)C |
| InChIKey | PIJBVCVBCQOWMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Diacetoxypentane (CAS 6963-44-6), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 5-acetyloxypentyl acetate.
Chemical Property Profile of 1,5-Diacetoxypentane
Property Insights of 1,5-Diacetoxypentane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Diacetoxypentane. With a topological polar surface area (TPSA) of 52.6 Ų, 1,5-Diacetoxypentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Diacetoxypentane 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 1,5-Diacetoxypentane?
The CAS number of 1,5-Diacetoxypentane is 6963-44-6.
What is the molecular formula of 1,5-Diacetoxypentane?
The molecular formula of 1,5-Diacetoxypentane is C9H16O4.
What is the molecular weight of 1,5-Diacetoxypentane?
The molecular weight of 1,5-Diacetoxypentane is 188.10 g/mol.
Where can I buy 1,5-Diacetoxypentane?
You can request a quote for 1,5-Diacetoxypentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Diacetoxypentane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Diacetoxypentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.