Diisopropyl Adipate
TL;DR: Diisopropyl Adipate (CAS 6938-94-9) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl hexanedioate
Also Known As: DIISOPROPYL ADIPATE, Isopropyl adipate, Prodipate, Crodamol DA, Standamul DIPA
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
| Melting Point | -1 °C |
| Boiling Point | 251.00 to 253.00 °C. @ 760.00 mm Hg |
| Density | 0.963-0.968 (20°) |
| Solubility | Practically insoluble or insoluble in water |
| Refractive Index | 1.423-1.427 |
Chemical Identifiers
| CAS Number | 6938-94-9 |
|---|---|
| SMILES | CC(C)OC(=O)CCCCC(=O)OC(C)C |
| InChIKey | ZDQWESQEGGJUCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopropyl Adipate (CAS 6938-94-9), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: dipropan-2-yl hexanedioate.
Chemical Property Profile of Diisopropyl Adipate
Property Insights of Diisopropyl Adipate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl Adipate. With a topological polar surface area (TPSA) of 52.6 Ų, Diisopropyl Adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropyl 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 Diisopropyl Adipate?
The CAS number of Diisopropyl Adipate is 6938-94-9.
What is the molecular formula of Diisopropyl Adipate?
The molecular formula of Diisopropyl Adipate is C12H22O4.
What is the molecular weight of Diisopropyl Adipate?
The molecular weight of Diisopropyl Adipate is 230.15 g/mol.
Where can I buy Diisopropyl Adipate?
You can request a quote for Diisopropyl Adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl Adipate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl Adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.