(2-Propanoyloxycyclohexyl) propanoate
TL;DR: (2-Propanoyloxycyclohexyl) propanoate (CAS 939-44-6) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propanoyloxycyclohexyl) propanoate
Also Known As: (2-propanoyloxycyclohexyl) propanoate, cyclohexane-1,2-diyl dipropanoate
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 939-44-6 |
|---|---|
| SMILES | CCC(=O)OC1CCCCC1OC(=O)CC |
| InChIKey | AKXRYWQJYQZENW-UHFFFAOYSA-N |
Product Overview
(2-Propanoyloxycyclohexyl) propanoate (CAS 939-44-6), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: (2-propanoyloxycyclohexyl) propanoate.
Chemical Property Profile of (2-Propanoyloxycyclohexyl) propanoate
Property Insights of (2-Propanoyloxycyclohexyl) propanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Propanoyloxycyclohexyl) propanoate. With a topological polar surface area (TPSA) of 52.6 Ų, (2-Propanoyloxycyclohexyl) propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Propanoyloxycyclohexyl) propanoate 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 (2-Propanoyloxycyclohexyl) propanoate?
The CAS number of (2-Propanoyloxycyclohexyl) propanoate is 939-44-6.
What is the molecular formula of (2-Propanoyloxycyclohexyl) propanoate?
The molecular formula of (2-Propanoyloxycyclohexyl) propanoate is C12H20O4.
What is the molecular weight of (2-Propanoyloxycyclohexyl) propanoate?
The molecular weight of (2-Propanoyloxycyclohexyl) propanoate is 228.14 g/mol.
Where can I buy (2-Propanoyloxycyclohexyl) propanoate?
You can request a quote for (2-Propanoyloxycyclohexyl) propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Propanoyloxycyclohexyl) propanoate?
Yes, KEHONG BIO provides custom synthesis services for (2-Propanoyloxycyclohexyl) propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.