1,4-Dicyclohexyl butanedioate
TL;DR: 1,4-Dicyclohexyl butanedioate (CAS 965-40-2) is a chemical compound with molecular formula C16H26O4 and molecular weight 282.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicyclohexyl butanedioate
Also Known As: Dicyclohexyl succinate, dicyclohexyl butanedioate, Succinic acid dicyclohexyl ester, 1,4-Dicyclohexyl butanedioate, Succinic acid, dicyclohexyl ester
| Molecular Formula | C16H26O4 |
|---|---|
| Molecular Weight | 282.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.1831 |
| Heavy Atoms | 20 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 965-40-2 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CCC(=O)OC2CCCCC2 |
| InChIKey | WWQSMJYMCWMODI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dicyclohexyl butanedioate (CAS 965-40-2), with molecular formula C16H26O4 and molecular weight 282.18 g/mol. IUPAC: dicyclohexyl butanedioate.
Chemical Property Profile of 1,4-Dicyclohexyl butanedioate
Property Insights of 1,4-Dicyclohexyl butanedioate
The XLogP value of 3.5 indicates that 1,4-Dicyclohexyl butanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Dicyclohexyl butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dicyclohexyl butanedioate 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 1,4-Dicyclohexyl butanedioate?
The CAS number of 1,4-Dicyclohexyl butanedioate is 965-40-2.
What is the molecular formula of 1,4-Dicyclohexyl butanedioate?
The molecular formula of 1,4-Dicyclohexyl butanedioate is C16H26O4.
What is the molecular weight of 1,4-Dicyclohexyl butanedioate?
The molecular weight of 1,4-Dicyclohexyl butanedioate is 282.18 g/mol.
Where can I buy 1,4-Dicyclohexyl butanedioate?
You can request a quote for 1,4-Dicyclohexyl butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dicyclohexyl butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dicyclohexyl butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.