Cyclohexane-1,3-diyl diethyl biscarbonate
TL;DR: Cyclohexane-1,3-diyl diethyl biscarbonate (CAS 94015-53-9) is a chemical compound with molecular formula C12H20O6 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethoxycarbonyloxycyclohexyl) ethyl carbonate
Also Known As: cyclohexane-1,3-diyl diethyl biscarbonate, (3-ethoxycarbonyloxycyclohexyl) ethyl carbonate, 1,3-Cyclohexanediol,bis(ethyl carbonate) (8CI)
| Molecular Formula | C12H20O6 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 260.12598 |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 94015-53-9 |
|---|---|
| SMILES | CCOC(=O)OC1CCCC(C1)OC(=O)OCC |
| InChIKey | AXMJHFOEUICXBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexane-1,3-diyl diethyl biscarbonate (CAS 94015-53-9), with molecular formula C12H20O6 and molecular weight 260.13 g/mol. IUPAC: (3-ethoxycarbonyloxycyclohexyl) ethyl carbonate.
Chemical Property Profile of Cyclohexane-1,3-diyl diethyl biscarbonate
Property Insights of Cyclohexane-1,3-diyl diethyl biscarbonate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexane-1,3-diyl diethyl biscarbonate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexane-1,3-diyl diethyl biscarbonate. Following Lipinski's Rule of Five, Cyclohexane-1,3-diyl diethyl biscarbonate 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 Cyclohexane-1,3-diyl diethyl biscarbonate?
The CAS number of Cyclohexane-1,3-diyl diethyl biscarbonate is 94015-53-9.
What is the molecular formula of Cyclohexane-1,3-diyl diethyl biscarbonate?
The molecular formula of Cyclohexane-1,3-diyl diethyl biscarbonate is C12H20O6.
What is the molecular weight of Cyclohexane-1,3-diyl diethyl biscarbonate?
The molecular weight of Cyclohexane-1,3-diyl diethyl biscarbonate is 260.13 g/mol.
Where can I buy Cyclohexane-1,3-diyl diethyl biscarbonate?
You can request a quote for Cyclohexane-1,3-diyl diethyl biscarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexane-1,3-diyl diethyl biscarbonate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexane-1,3-diyl diethyl biscarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.