己二酸二异戊酯
TL;DR: 己二酸二异戊酯 (CAS 6624-70-0) is a chemical compound with molecular formula C16H30O4 and molecular weight 286.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸二异戊酯
bis(3-methylbutyl) hexanedioate
Also Known As: Diisoamyl adipate, Bis(3-methylbutyl) adipate, Di(3-methylbutyl)adipate, diisopentyl adipate, Adipic acid bis(3-methylbutyl) ester
| Molecular Formula | C16H30O4 |
|---|---|
| Molecular Weight | 286.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 286.21442 |
| Heavy Atoms | 20 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 6624-70-0 |
|---|---|
| SMILES | CC(C)CCOC(=O)CCCCC(=O)OCCC(C)C |
| InChIKey | HIEOGLNFUKBFCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸二异戊酯 (CAS 6624-70-0), with molecular formula C16H30O4 and molecular weight 286.21 g/mol. IUPAC: bis(3-methylbutyl) hexanedioate.
Chemical Property Profile of 己二酸二异戊酯
Property Insights of 己二酸二异戊酯
The XLogP value of 4.0 indicates that 己二酸二异戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 己二酸二异戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸二异戊酯 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 己二酸二异戊酯?
The CAS number of 己二酸二异戊酯 is 6624-70-0.
What is the molecular formula of 己二酸二异戊酯?
The molecular formula of 己二酸二异戊酯 is C16H30O4.
What is the molecular weight of 己二酸二异戊酯?
The molecular weight of 己二酸二异戊酯 is 286.21 g/mol.
Where can I buy 己二酸二异戊酯?
You can request a quote for 己二酸二异戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸二异戊酯?
Yes, KEHONG BIO provides custom synthesis services for 己二酸二异戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.