Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester
TL;DR: Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester (CAS 56554-55-3) is a chemical compound with molecular formula C21H38O6 and molecular weight 386.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(2-methylpentanoyloxy)propyl 2-methylpentanoate
Also Known As: Tris 1,2,3-propanetriylester, Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester, 2,3-Bis[(2-methylpentanoyl)oxy]propyl 2-methylpentanoate, Tris(2-methylvaleric acid)1,2,3-propanetriyl ester, 2,3-bis(2-methylpentanoyloxy)propyl 2-methylpentanoate
| Molecular Formula | C21H38O6 |
|---|---|
| Molecular Weight | 386.27 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 386.26685 |
| Heavy Atoms | 27 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 56554-55-3 |
|---|---|
| SMILES | CCCC(C)C(=O)OCC(COC(=O)C(C)CCC)OC(=O)C(C)CCC |
| InChIKey | IBBRAZQLXJXBRZ-UHFFFAOYSA-N |
Product Overview
Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester (CAS 56554-55-3), with molecular formula C21H38O6 and molecular weight 386.27 g/mol. IUPAC: 2,3-bis(2-methylpentanoyloxy)propyl 2-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester
Property Insights of Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester
The XLogP value of 5.8 indicates that Pentanoic acid, 2-methyl-, 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 Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester. Following Lipinski's Rule of Five, Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester?
The CAS number of Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester is 56554-55-3.
What is the molecular formula of Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester?
The molecular formula of Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester is C21H38O6.
What is the molecular weight of Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester?
The molecular weight of Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester is 386.27 g/mol.
Where can I buy Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester?
You can request a quote for Pentanoic acid, 2-methyl-, 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 Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 2-methyl-, 1,2,3-propanetriyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.