Butyl isobutyl phthalate
TL;DR: Butyl isobutyl phthalate (CAS 17851-53-5) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate
Also Known As: BUTYL ISOBUTYL PHTHALATE, butyl-isobutyl-phthalate, ButylIsobutylPhthalate, Isobutyl n-nutyl phthalate, Butyl isobutyl phthalate?
| Molecular Formula | C16H22O4 |
|---|---|
| Molecular Weight | 278.15 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 278.1518 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 17851-53-5 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCC(C)C |
| InChIKey | UVIVWIFUPKGWGF-UHFFFAOYSA-N |
Product Overview
Butyl isobutyl phthalate (CAS 17851-53-5), with molecular formula C16H22O4 and molecular weight 278.15 g/mol. IUPAC: 1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Butyl isobutyl phthalate
Property Insights of Butyl isobutyl phthalate
The XLogP value of 4.8 indicates that Butyl isobutyl phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Butyl isobutyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl isobutyl phthalate 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 Butyl isobutyl phthalate?
The CAS number of Butyl isobutyl phthalate is 17851-53-5.
What is the molecular formula of Butyl isobutyl phthalate?
The molecular formula of Butyl isobutyl phthalate is C16H22O4.
What is the molecular weight of Butyl isobutyl phthalate?
The molecular weight of Butyl isobutyl phthalate is 278.15 g/mol.
Where can I buy Butyl isobutyl phthalate?
You can request a quote for Butyl isobutyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl isobutyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Butyl isobutyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.