Hexane-1,6-diyl dipropanoate
TL;DR: Hexane-1,6-diyl dipropanoate (CAS 66975-10-8) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propanoyloxyhexyl propanoate
Also Known As: hexane-1,6-diyl dipropanoate, 6-propanoyloxyhexyl propanoate, 1,6-Bis(propionyloxy)hexane, hexane-1,6-diyl dipropionate, 6-(propanoyloxy)hexyl propanoate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 66975-10-8 |
|---|---|
| SMILES | CCC(=O)OCCCCCCOC(=O)CC |
| InChIKey | RZOTVHJYCPTNCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexane-1,6-diyl dipropanoate (CAS 66975-10-8), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: 6-propanoyloxyhexyl propanoate.
Chemical Property Profile of Hexane-1,6-diyl dipropanoate
Property Insights of Hexane-1,6-diyl dipropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexane-1,6-diyl dipropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Hexane-1,6-diyl dipropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexane-1,6-diyl dipropanoate 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 Hexane-1,6-diyl dipropanoate?
The CAS number of Hexane-1,6-diyl dipropanoate is 66975-10-8.
What is the molecular formula of Hexane-1,6-diyl dipropanoate?
The molecular formula of Hexane-1,6-diyl dipropanoate is C12H22O4.
What is the molecular weight of Hexane-1,6-diyl dipropanoate?
The molecular weight of Hexane-1,6-diyl dipropanoate is 230.15 g/mol.
Where can I buy Hexane-1,6-diyl dipropanoate?
You can request a quote for Hexane-1,6-diyl dipropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexane-1,6-diyl dipropanoate?
Yes, KEHONG BIO provides custom synthesis services for Hexane-1,6-diyl dipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.