Bis(1-butylpentyl) adipate
TL;DR: Bis(1-butylpentyl) adipate (CAS 77916-77-9) 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.
dinonan-5-yl hexanedioate
Also Known As: Bis(1-butylpentyl) adipate, Dinonan-5-yl Hexanedioate, bis adipate, Di(nonan-5-yl) adipate, BBPA
| Molecular Formula | C24H46O4 |
|---|---|
| Molecular Weight | 398.34 g/mol |
| LogP | 7.1312 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 398.3396 |
| Heavy Atoms | 28 |
| Complexity | 328.80145 |
Chemical Identifiers
| CAS Number | 77916-77-9 |
|---|---|
| SMILES | CCCCC(CCCC)OC(=O)CCCCC(=O)OC(CCCC)CCCC |
Product Overview
Bis(1-butylpentyl) adipate (CAS 77916-77-9), with molecular formula C24H46O4 and molecular weight 398.34 g/mol. IUPAC: dinonan-5-yl hexanedioate.
Chemical Property Profile of Bis(1-butylpentyl) adipate
Property Insights of Bis(1-butylpentyl) adipate
The XLogP value of 7.1312 indicates that Bis(1-butylpentyl) 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(1-butylpentyl) adipate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1-butylpentyl) 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(1-butylpentyl) adipate?
The CAS number of Bis(1-butylpentyl) adipate is 77916-77-9.
What is the molecular formula of Bis(1-butylpentyl) adipate?
The molecular formula of Bis(1-butylpentyl) adipate is C24H46O4.
What is the molecular weight of Bis(1-butylpentyl) adipate?
The molecular weight of Bis(1-butylpentyl) adipate is 398.34 g/mol.
Where can I buy Bis(1-butylpentyl) adipate?
You can request a quote for Bis(1-butylpentyl) adipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-butylpentyl) adipate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-butylpentyl) adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.