Bis(3,3,5-trimethylhexyl) hexanedioate
TL;DR: Bis(3,3,5-trimethylhexyl) hexanedioate (CAS 13007-41-5) 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.
bis(3,3,5-trimethylhexyl) hexanedioate
Also Known As: Bis(3,3,5-trimethylhexyl) hexanedioate, Adipic acid, bis(3,3,5-trimethylhexyl) ester, Adipic acid bis(3,3,5-trimethylhexyl) ester, Bis(3,3,5-trimethylhexyl) hexanedioate #, 1,6-bis(3,3,5-trimethylhexyl) hexanedioate
| Molecular Formula | C24H46O4 |
|---|---|
| Molecular Weight | 398.34 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 398.3396 |
| Heavy Atoms | 28 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 13007-41-5 |
|---|---|
| SMILES | CC(C)CC(C)(C)CCOC(=O)CCCCC(=O)OCCC(C)(C)CC(C)C |
| InChIKey | BVDJZDODWHVXPA-UHFFFAOYSA-N |
Product Overview
Bis(3,3,5-trimethylhexyl) hexanedioate (CAS 13007-41-5), with molecular formula C24H46O4 and molecular weight 398.34 g/mol. IUPAC: bis(3,3,5-trimethylhexyl) hexanedioate.
Chemical Property Profile of Bis(3,3,5-trimethylhexyl) hexanedioate
Property Insights of Bis(3,3,5-trimethylhexyl) hexanedioate
The XLogP value of 7.4 indicates that Bis(3,3,5-trimethylhexyl) hexanedioate 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(3,3,5-trimethylhexyl) hexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(3,3,5-trimethylhexyl) hexanedioate 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(3,3,5-trimethylhexyl) hexanedioate?
The CAS number of Bis(3,3,5-trimethylhexyl) hexanedioate is 13007-41-5.
What is the molecular formula of Bis(3,3,5-trimethylhexyl) hexanedioate?
The molecular formula of Bis(3,3,5-trimethylhexyl) hexanedioate is C24H46O4.
What is the molecular weight of Bis(3,3,5-trimethylhexyl) hexanedioate?
The molecular weight of Bis(3,3,5-trimethylhexyl) hexanedioate is 398.34 g/mol.
Where can I buy Bis(3,3,5-trimethylhexyl) hexanedioate?
You can request a quote for Bis(3,3,5-trimethylhexyl) hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3,3,5-trimethylhexyl) hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3,3,5-trimethylhexyl) hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.