Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester
TL;DR: Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester (CAS 57983-49-0) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutan-2-yl 2-methylpentanedioate
Also Known As: 2-Methylpentanedioicacidbis ester, Di(sec-butyl) 2-methylpentanedioate, dibutan-2-yl 2-methylpentanedioate, Di(sec-butyl) 2-methylpentanedioate #, 1,5-bis(butan-2-yl) 2-methylpentanedioate
| Molecular Formula | C14H26O4 |
|---|---|
| Molecular Weight | 258.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 258.1831 |
| Heavy Atoms | 18 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 57983-49-0 |
|---|---|
| SMILES | CCC(C)OC(=O)CCC(C)C(=O)OC(C)CC |
| InChIKey | CXAGMOJLDAQFKE-UHFFFAOYSA-N |
Product Overview
Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester (CAS 57983-49-0), with molecular formula C14H26O4 and molecular weight 258.18 g/mol. IUPAC: dibutan-2-yl 2-methylpentanedioate.
Chemical Property Profile of Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester
Property Insights of Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester
The XLogP value of 3.5 indicates that Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) 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, Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) 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 Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester?
The CAS number of Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester is 57983-49-0.
What is the molecular formula of Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester?
The molecular formula of Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester is C14H26O4.
What is the molecular weight of Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester?
The molecular weight of Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester is 258.18 g/mol.
Where can I buy Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester?
You can request a quote for Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 2-methyl-, bis(1-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.