Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate
TL;DR: Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate (CAS 228853-14-3) is a chemical compound with molecular formula C18H32O4 and molecular weight 312.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate
Also Known As: Carbamic acid,octadecyl-,hexadecyl ester, bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate, 1,2-Cyclohexanedicarboxylic acid, bis(3-methylbutyl) ester, 1,2-Cyclohexanedicarboxylic acid diisopentyl ester, 1,2-BIS(3-METHYLBUTYL) CYCLOHEXANE-1,2-DICARBOXYLATE
| Molecular Formula | C18H32O4 |
|---|---|
| Molecular Weight | 312.23 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.23007 |
| Heavy Atoms | 22 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 228853-14-3 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1CCCCC1C(=O)OCCC(C)C |
| InChIKey | FTQQZEVRNWXZBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate (CAS 228853-14-3), with molecular formula C18H32O4 and molecular weight 312.23 g/mol. IUPAC: bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate.
Chemical Property Profile of Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate
Property Insights of Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate
The XLogP value of 4.9 indicates that Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate 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 Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate?
The CAS number of Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate is 228853-14-3.
What is the molecular formula of Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate?
The molecular formula of Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate is C18H32O4.
What is the molecular weight of Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate?
The molecular weight of Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate is 312.23 g/mol.
Where can I buy Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate?
You can request a quote for Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-methylbutyl) cyclohexane-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.