4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate
TL;DR: 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate (CAS 93981-22-7) is a chemical compound with molecular formula C30H56O5 and molecular weight 496.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-(2-ethylhexyl) 1-O-octadec-9-enyl 2-hydroxybutanedioate
Also Known As: 4-(2-Ethylhexyl) 1-(octadec-9-enyl) malate, 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate, 4-(2-ethylhexyl) 1-octadec-9-en-1-yl 2-hydroxybutanedioate, Butanedioic acid, 2-hydroxy-, 4-(2-ethylhexyl)1-(9-octadecen-1-yl) ester
| Molecular Formula | C30H56O5 |
|---|---|
| Molecular Weight | 496.41 g/mol |
| LogP | 8.0777 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 25 |
| Exact Mass | 496.41278 |
| Heavy Atoms | 35 |
| Complexity | 516.8762 |
Chemical Identifiers
| CAS Number | 93981-22-7 |
|---|---|
| SMILES | CCCCCCCCC=CCCCCCCCCOC(=O)C(CC(=O)OCC(CC)CCCC)O |
Product Overview
4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate (CAS 93981-22-7), with molecular formula C30H56O5 and molecular weight 496.41 g/mol. IUPAC: 4-O-(2-ethylhexyl) 1-O-octadec-9-enyl 2-hydroxybutanedioate.
Chemical Property Profile of 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate
Property Insights of 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate
The XLogP value of 8.0777 indicates that 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate. Following Lipinski's Rule of Five, 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate?
The CAS number of 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate is 93981-22-7.
What is the molecular formula of 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate?
The molecular formula of 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate is C30H56O5.
What is the molecular weight of 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate?
The molecular weight of 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate is 496.41 g/mol.
Where can I buy 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate?
You can request a quote for 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Ethylhexyl) 1-(9-octadecen-1-yl) 2-hydroxybutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.