bis(6-Methylheptyl) adipate
TL;DR: bis(6-Methylheptyl) adipate (CAS 1330-86-5) is a chemical compound with molecular formula C22H42O4 and molecular weight 370.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-methylheptyl) hexanedioate
Also Known As: DIISOOCTYL ADIPATE, Bis(6-methylheptyl) adipate, Diisooctyladipate, Diiosoctyl adipate, Dioa
| Molecular Formula | C22H42O4 |
|---|---|
| Molecular Weight | 370.31 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 370.30832 |
| Heavy Atoms | 26 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 1330-86-5 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C |
| InChIKey | CJFLBOQMPJCWLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
bis(6-Methylheptyl) adipate (CAS 1330-86-5), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: bis(6-methylheptyl) hexanedioate.
Chemical Property Profile of bis(6-Methylheptyl) adipate
Property Insights of bis(6-Methylheptyl) adipate
The XLogP value of 6.8 indicates that bis(6-Methylheptyl) 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, bis(6-Methylheptyl) adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, bis(6-Methylheptyl) adipate 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 bis(6-Methylheptyl) adipate?
The CAS number of bis(6-Methylheptyl) adipate is 1330-86-5.
What is the molecular formula of bis(6-Methylheptyl) adipate?
The molecular formula of bis(6-Methylheptyl) adipate is C22H42O4.
What is the molecular weight of bis(6-Methylheptyl) adipate?
The molecular weight of bis(6-Methylheptyl) adipate is 370.31 g/mol.
Where can I buy bis(6-Methylheptyl) adipate?
You can request a quote for bis(6-Methylheptyl) adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis(6-Methylheptyl) adipate?
Yes, KEHONG BIO provides custom synthesis services for bis(6-Methylheptyl) adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.