Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester
TL;DR: Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester (CAS 84006-19-9) is a chemical compound with molecular formula C16H30O4 and molecular weight 286.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylpentanoyloxy)butan-2-yl 3-methylpentanoate
Also Known As: 2,3-Butanediol bis(3-methylpentanoate), 3- butan-2-yl3-methylpentanoate, 1,2-Dimethyl-1,2-ethanediyl 3-methylpentanoate, Butane-2,3-diyl bis(3-methylpentanoate), Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester
| Molecular Formula | C16H30O4 |
|---|---|
| Molecular Weight | 286.21 g/mol |
| LogP | 3.7222 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 286.21442 |
| Heavy Atoms | 20 |
| Complexity | 270.852 |
Chemical Identifiers
| CAS Number | 84006-19-9 |
|---|---|
| SMILES | CCC(C)CC(=O)OC(C)C(C)OC(=O)CC(C)CC |
Product Overview
Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester (CAS 84006-19-9), with molecular formula C16H30O4 and molecular weight 286.21 g/mol. IUPAC: 3-(3-methylpentanoyloxy)butan-2-yl 3-methylpentanoate.
Chemical Property Profile of Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester
Property Insights of Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester
The XLogP value of 3.7222 indicates that Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester has 0 hydrogen bond donor(s) and 4 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 Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester?
The CAS number of Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester is 84006-19-9.
What is the molecular formula of Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester?
The molecular formula of Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester is C16H30O4.
What is the molecular weight of Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester?
The molecular weight of Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester is 286.21 g/mol.
Where can I buy Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester?
You can request a quote for Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl 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, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanoic acid, 3-methyl-, 1,2-dimethyl-1,2-ethanediyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.