1,9-双(2-甲基丙基)壬二酸酯
TL;DR: 1,9-双(2-甲基丙基)壬二酸酯 (CAS 105-80-6) is a chemical compound with molecular formula C17H32O4 and molecular weight 300.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,9-双(2-甲基丙基)壬二酸酯
bis(2-methylpropyl) nonanedioate
Also Known As: Diisobutyl nonanedioate, DIISOBUTYL AZELATE, Diisobutyl azelaate, diisobutylazelat-, Diisobutylnonanedioate
| Molecular Formula | C17H32O4 |
|---|---|
| Molecular Weight | 300.23 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 300.23007 |
| Heavy Atoms | 21 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 105-80-6 |
|---|---|
| SMILES | CC(C)COC(=O)CCCCCCCC(=O)OCC(C)C |
| InChIKey | KEVDDQOYWPSMFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,9-双(2-甲基丙基)壬二酸酯 (CAS 105-80-6), with molecular formula C17H32O4 and molecular weight 300.23 g/mol. IUPAC: bis(2-methylpropyl) nonanedioate.
Chemical Property Profile of 1,9-双(2-甲基丙基)壬二酸酯
Property Insights of 1,9-双(2-甲基丙基)壬二酸酯
The XLogP value of 4.9 indicates that 1,9-双(2-甲基丙基)壬二酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,9-双(2-甲基丙基)壬二酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,9-双(2-甲基丙基)壬二酸酯 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 1,9-双(2-甲基丙基)壬二酸酯?
The CAS number of 1,9-双(2-甲基丙基)壬二酸酯 is 105-80-6.
What is the molecular formula of 1,9-双(2-甲基丙基)壬二酸酯?
The molecular formula of 1,9-双(2-甲基丙基)壬二酸酯 is C17H32O4.
What is the molecular weight of 1,9-双(2-甲基丙基)壬二酸酯?
The molecular weight of 1,9-双(2-甲基丙基)壬二酸酯 is 300.23 g/mol.
Where can I buy 1,9-双(2-甲基丙基)壬二酸酯?
You can request a quote for 1,9-双(2-甲基丙基)壬二酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,9-双(2-甲基丙基)壬二酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,9-双(2-甲基丙基)壬二酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.