Cyclohexyl 2-isobutyl phthalate
TL;DR: Cyclohexyl 2-isobutyl phthalate (CAS 5334-09-8) is a chemical compound with molecular formula C18H24O4 and molecular weight 304.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-cyclohexyl 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
Also Known As: Cyclohexyl 2-isobutyl phthalate, Cyclohexyl isobutyl phthalate, Isobutyl cyclohexyl phthalate, Phthalic Acid Cyclohexyl Isobutyl Ester, Phthalic acid, cyclohexyl isobutyl ester
| Molecular Formula | C18H24O4 |
|---|---|
| Molecular Weight | 304.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.16745 |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 5334-09-8 |
|---|---|
| SMILES | CC(C)COC(=O)C1=CC=CC=C1C(=O)OC2CCCCC2 |
| InChIKey | ACVHLWLOORYJEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexyl 2-isobutyl phthalate (CAS 5334-09-8), with molecular formula C18H24O4 and molecular weight 304.17 g/mol. IUPAC: 2-O-cyclohexyl 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate.
Chemical Property Profile of Cyclohexyl 2-isobutyl phthalate
Property Insights of Cyclohexyl 2-isobutyl phthalate
The XLogP value of 4.6 indicates that Cyclohexyl 2-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, Cyclohexyl 2-isobutyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexyl 2-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 Cyclohexyl 2-isobutyl phthalate?
The CAS number of Cyclohexyl 2-isobutyl phthalate is 5334-09-8.
What is the molecular formula of Cyclohexyl 2-isobutyl phthalate?
The molecular formula of Cyclohexyl 2-isobutyl phthalate is C18H24O4.
What is the molecular weight of Cyclohexyl 2-isobutyl phthalate?
The molecular weight of Cyclohexyl 2-isobutyl phthalate is 304.17 g/mol.
Where can I buy Cyclohexyl 2-isobutyl phthalate?
You can request a quote for Cyclohexyl 2-isobutyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 2-isobutyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 2-isobutyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.