Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester
TL;DR: Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 620-63-3) is a chemical compound with molecular formula C18H32O6 and molecular weight 344.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(3-methylbutanoyloxy)propyl 3-methylbutanoate
Also Known As: Triisovalerin, Glycerol triisovalerate, Isovalerin, tri, Glycerol triisopentanoate, Isovalerin, tri (6CI)
| Molecular Formula | C18H32O6 |
|---|---|
| Molecular Weight | 344.22 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 344.21988 |
| Heavy Atoms | 24 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 620-63-3 |
|---|---|
| SMILES | CC(C)CC(=O)OCC(COC(=O)CC(C)C)OC(=O)CC(C)C |
| InChIKey | HZGMZSCMYSGJTL-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 620-63-3), with molecular formula C18H32O6 and molecular weight 344.22 g/mol. IUPAC: 2,3-bis(3-methylbutanoyloxy)propyl 3-methylbutanoate.
Chemical Property Profile of Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester
Property Insights of Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester
The XLogP value of 3.8 indicates that Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester. Following Lipinski's Rule of Five, Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
The CAS number of Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester is 620-63-3.
What is the molecular formula of Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular formula of Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester is C18H32O6.
What is the molecular weight of Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular weight of Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester is 344.22 g/mol.
Where can I buy Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
You can request a quote for Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 3-methyl-, 1,1',1''-(1,2,3-propanetriyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.