Di-sec-butyl adipate
TL;DR: Di-sec-butyl adipate (CAS 38447-22-2) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutan-2-yl hexanedioate
Also Known As: Di-sec-butyl adipate, dibutan-2-yl hexanedioate, Hexanedioic acid, bis(1-methylpropyl) ester, NCIOpen2_002625, Di(butan-2-yl) hexanedioate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 38447-22-2 |
|---|---|
| SMILES | CCC(C)OC(=O)CCCCC(=O)OC(C)CC |
| InChIKey | MIICPMNQUSMWGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-sec-butyl adipate (CAS 38447-22-2), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: dibutan-2-yl hexanedioate.
Chemical Property Profile of Di-sec-butyl adipate
Property Insights of Di-sec-butyl adipate
The XLogP value of 3.2 indicates that Di-sec-butyl adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Di-sec-butyl adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-sec-butyl adipate 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 Di-sec-butyl adipate?
The CAS number of Di-sec-butyl adipate is 38447-22-2.
What is the molecular formula of Di-sec-butyl adipate?
The molecular formula of Di-sec-butyl adipate is C14H26O4.
What is the molecular weight of Di-sec-butyl adipate?
The molecular weight of Di-sec-butyl adipate is 258.18 g/mol.
Where can I buy Di-sec-butyl adipate?
You can request a quote for Di-sec-butyl adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-sec-butyl adipate?
Yes, KEHONG BIO provides custom synthesis services for Di-sec-butyl adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.