Dicyclohexyl carbonate
TL;DR: Dicyclohexyl carbonate (CAS 4427-97-8) is a chemical compound with molecular formula C13H22O3 and molecular weight 226.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicyclohexyl carbonate
Also Known As: Dicyclohexyl carbonate, Dicyclohexylcarbonate, Carbonic acid, dicyclohexyl ester, Carbonic acid dicyclohexyl ester, J1.428.116I
| Molecular Formula | C13H22O3 |
|---|---|
| Molecular Weight | 226.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.15689 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 4427-97-8 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)OC2CCCCC2 |
| InChIKey | FYIBPWZEZWVDQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dicyclohexyl carbonate (CAS 4427-97-8), with molecular formula C13H22O3 and molecular weight 226.16 g/mol. IUPAC: dicyclohexyl carbonate.
Chemical Property Profile of Dicyclohexyl carbonate
Property Insights of Dicyclohexyl carbonate
The XLogP value of 4.1 indicates that Dicyclohexyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Dicyclohexyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dicyclohexyl carbonate has 0 hydrogen bond donor(s) and 3 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 Dicyclohexyl carbonate?
The CAS number of Dicyclohexyl carbonate is 4427-97-8.
What is the molecular formula of Dicyclohexyl carbonate?
The molecular formula of Dicyclohexyl carbonate is C13H22O3.
What is the molecular weight of Dicyclohexyl carbonate?
The molecular weight of Dicyclohexyl carbonate is 226.16 g/mol.
Where can I buy Dicyclohexyl carbonate?
You can request a quote for Dicyclohexyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicyclohexyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Dicyclohexyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.