己二酸1-异癸基6-异辛酯
TL;DR: 己二酸1-异癸基6-异辛酯 (CAS 31474-57-4) is a chemical compound with molecular formula C24H46O4 and molecular weight 398.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸1-异癸基6-异辛酯
6-O-(6-methylheptyl) 1-O-(8-methylnonyl) hexanedioate
Also Known As: Isodecyl isooctyl adipate, Isodecylisooctyladipate, ISOOCTYL ISODECYL ADIPATE, i-octyl i-decyl adipate, 6-Methylheptyl 8-methylnonyl adipate
| Molecular Formula | C24H46O4 |
|---|---|
| Molecular Weight | 398.34 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 398.3396 |
| Heavy Atoms | 28 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 31474-57-4 |
|---|---|
| SMILES | CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C |
| InChIKey | IHXYISPZQCLSIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸1-异癸基6-异辛酯 (CAS 31474-57-4), with molecular formula C24H46O4 and molecular weight 398.34 g/mol. IUPAC: 6-O-(6-methylheptyl) 1-O-(8-methylnonyl) hexanedioate.
Chemical Property Profile of 己二酸1-异癸基6-异辛酯
Property Insights of 己二酸1-异癸基6-异辛酯
The XLogP value of 7.9 indicates that 己二酸1-异癸基6-异辛酯 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1-异癸基6-异辛酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸1-异癸基6-异辛酯 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 己二酸1-异癸基6-异辛酯?
The CAS number of 己二酸1-异癸基6-异辛酯 is 31474-57-4.
What is the molecular formula of 己二酸1-异癸基6-异辛酯?
The molecular formula of 己二酸1-异癸基6-异辛酯 is C24H46O4.
What is the molecular weight of 己二酸1-异癸基6-异辛酯?
The molecular weight of 己二酸1-异癸基6-异辛酯 is 398.34 g/mol.
Where can I buy 己二酸1-异癸基6-异辛酯?
You can request a quote for 己二酸1-异癸基6-异辛酯 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1-异癸基6-异辛酯?
Yes, KEHONG BIO provides custom synthesis services for 己二酸1-异癸基6-异辛酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.