Diisopropyl phthalate
TL;DR: Diisopropyl phthalate (CAS 605-45-8) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl benzene-1,2-dicarboxylate
Also Known As: DIISOPROPYL PHTHALATE, di-i-propyl phthalate, DIISOPROPYLPHTHALATE, Diisopropyl phthalic acid, Phthalic acid, diisopropyl ester
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 605-45-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C |
| InChIKey | QWDBCIAVABMJPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diisopropyl phthalate (CAS 605-45-8), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: dipropan-2-yl benzene-1,2-dicarboxylate.
Chemical Property Profile of Diisopropyl phthalate
Property Insights of Diisopropyl phthalate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl phthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Diisopropyl phthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropyl 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 Diisopropyl phthalate?
The CAS number of Diisopropyl phthalate is 605-45-8.
What is the molecular formula of Diisopropyl phthalate?
The molecular formula of Diisopropyl phthalate is C14H18O4.
What is the molecular weight of Diisopropyl phthalate?
The molecular weight of Diisopropyl phthalate is 250.12 g/mol.
Where can I buy Diisopropyl phthalate?
You can request a quote for Diisopropyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.