1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester
TL;DR: 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester (CAS 67939-32-6) is a chemical compound with molecular formula C46H88O7 and molecular weight 752.65 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-octadecoxycarbonyl-2-(2-octadecoxy-2-oxoethyl)heptanoic acid
Also Known As: Butyl distearyl citrate, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester, 1-Butyl 2,3-dioctadecyl 2-hydroxypropane-1,2,3-tricarboxylate, 2-hydroxy-3-octadecoxycarbonyl-2-(2-octadecoxy-2-oxoethyl)heptanoic acid, EINECS 267-833-1
| Molecular Formula | C46H88O7 |
|---|---|
| Molecular Weight | 752.65 g/mol |
| LogP | 18.3 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 44 |
| Exact Mass | 752.653 |
| Heavy Atoms | 53 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 67939-32-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CC(C(CCCC)C(=O)OCCCCCCCCCCCCCCCCCC)(C(=O)O)O |
| InChIKey | DOSHYJNSMFWYSD-UHFFFAOYSA-N |
Product Overview
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester (CAS 67939-32-6), with molecular formula C46H88O7 and molecular weight 752.65 g/mol. IUPAC: 2-hydroxy-3-octadecoxycarbonyl-2-(2-octadecoxy-2-oxoethyl)heptanoic acid.
Chemical Property Profile of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester
Property Insights of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester
The XLogP value of 18.3 indicates that 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester. Following Lipinski's Rule of Five, 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester?
The CAS number of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester is 67939-32-6.
What is the molecular formula of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester?
The molecular formula of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester is C46H88O7.
What is the molecular weight of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester?
The molecular weight of 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester is 752.65 g/mol.
Where can I buy 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester?
You can request a quote for 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-butyl 2,3-dioctadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.