Hexanedioic acid, 3-methyl-, dibutyl ester
TL;DR: Hexanedioic acid, 3-methyl-, dibutyl ester (CAS 56051-58-2) is a chemical compound with molecular formula C15H28O4 and molecular weight 272.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 3-methylhexanedioate
Also Known As: Dibutyl 3-methylhexanedioate, 3-Methylhexanedioicaciddibutylester, Dibutyl 3-methylhexanedioate #, 1,6-dibutyl 3-methylhexanedioate, Hexanedioic acid, 3-methyl-, dibutyl ester
| Molecular Formula | C15H28O4 |
|---|---|
| Molecular Weight | 272.20 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 272.19876 |
| Heavy Atoms | 19 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 56051-58-2 |
|---|---|
| SMILES | CCCCOC(=O)CCC(C)CC(=O)OCCCC |
| InChIKey | JIZBKLUGLZMRMK-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, 3-methyl-, dibutyl ester (CAS 56051-58-2), with molecular formula C15H28O4 and molecular weight 272.20 g/mol. IUPAC: dibutyl 3-methylhexanedioate.
Chemical Property Profile of Hexanedioic acid, 3-methyl-, dibutyl ester
Property Insights of Hexanedioic acid, 3-methyl-, dibutyl ester
The XLogP value of 3.5 indicates that Hexanedioic acid, 3-methyl-, dibutyl 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, Hexanedioic acid, 3-methyl-, dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, 3-methyl-, dibutyl 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 Hexanedioic acid, 3-methyl-, dibutyl ester?
The CAS number of Hexanedioic acid, 3-methyl-, dibutyl ester is 56051-58-2.
What is the molecular formula of Hexanedioic acid, 3-methyl-, dibutyl ester?
The molecular formula of Hexanedioic acid, 3-methyl-, dibutyl ester is C15H28O4.
What is the molecular weight of Hexanedioic acid, 3-methyl-, dibutyl ester?
The molecular weight of Hexanedioic acid, 3-methyl-, dibutyl ester is 272.20 g/mol.
Where can I buy Hexanedioic acid, 3-methyl-, dibutyl ester?
You can request a quote for Hexanedioic acid, 3-methyl-, dibutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, 3-methyl-, dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 3-methyl-, dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.