Cyclohexane-1,4-diyl dipropanoate
TL;DR: Cyclohexane-1,4-diyl dipropanoate (CAS 35541-63-0) 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.
(4-propanoyloxycyclohexyl) propanoate
Also Known As: cyclohexane-1,4-diyl dipropanoate, (4-propanoyloxycyclohexyl) propanoate, 1beta,4alpha-Cyclohexanediol dipropionate, J2.344.399F, (1r,4r)-4-(propanoyloxy)cyclohexyl propanoate
| 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 | 215.0 |
Chemical Identifiers
| CAS Number | 35541-63-0 |
|---|---|
| SMILES | CCC(=O)OC1CCC(CC1)OC(=O)CC |
| InChIKey | CMPRSMDSUYWTMZ-UHFFFAOYSA-N |
Product Overview
Cyclohexane-1,4-diyl dipropanoate (CAS 35541-63-0), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: (4-propanoyloxycyclohexyl) propanoate.
Chemical Property Profile of Cyclohexane-1,4-diyl dipropanoate
Property Insights of Cyclohexane-1,4-diyl dipropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane-1,4-diyl dipropanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Cyclohexane-1,4-diyl dipropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexane-1,4-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 Cyclohexane-1,4-diyl dipropanoate?
The CAS number of Cyclohexane-1,4-diyl dipropanoate is 35541-63-0.
What is the molecular formula of Cyclohexane-1,4-diyl dipropanoate?
The molecular formula of Cyclohexane-1,4-diyl dipropanoate is C12H20O4.
What is the molecular weight of Cyclohexane-1,4-diyl dipropanoate?
The molecular weight of Cyclohexane-1,4-diyl dipropanoate is 228.14 g/mol.
Where can I buy Cyclohexane-1,4-diyl dipropanoate?
You can request a quote for Cyclohexane-1,4-diyl dipropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,4-diyl dipropanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,4-diyl dipropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.