1,4-丁二醇二壬酸酯
TL;DR: 1,4-丁二醇二壬酸酯 (CAS 15805-92-2) 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.
1,4-丁二醇二壬酸酯
4-nonanoyloxybutyl nonanoate
Also Known As: Butane-1,4-diyl dinonanoate, 4-nonanoyloxybutyl nonanoate, Dinonanoic acid 1,4-butanediyl, Bisnonanoic acid 1,4-butanediyl, 1,4-butylene glycol dipelargonate
| Molecular Formula | C22H42O4 |
|---|---|
| Molecular Weight | 370.31 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 370.30832 |
| Heavy Atoms | 26 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 15805-92-2 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCC |
| InChIKey | NSZQGANCYYPANK-UHFFFAOYSA-N |
Product Overview
1,4-丁二醇二壬酸酯 (CAS 15805-92-2), with molecular formula C22H42O4 and molecular weight 370.31 g/mol. IUPAC: 4-nonanoyloxybutyl nonanoate.
Chemical Property Profile of 1,4-丁二醇二壬酸酯
Property Insights of 1,4-丁二醇二壬酸酯
The XLogP value of 7.8 indicates that 1,4-丁二醇二壬酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-丁二醇二壬酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-丁二醇二壬酸酯 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 1,4-丁二醇二壬酸酯?
The CAS number of 1,4-丁二醇二壬酸酯 is 15805-92-2.
What is the molecular formula of 1,4-丁二醇二壬酸酯?
The molecular formula of 1,4-丁二醇二壬酸酯 is C22H42O4.
What is the molecular weight of 1,4-丁二醇二壬酸酯?
The molecular weight of 1,4-丁二醇二壬酸酯 is 370.31 g/mol.
Where can I buy 1,4-丁二醇二壬酸酯?
You can request a quote for 1,4-丁二醇二壬酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-丁二醇二壬酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-丁二醇二壬酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.