Monoisopropyl phthalate
TL;DR: Monoisopropyl phthalate (CAS 35118-50-4) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxycarbonylbenzoic acid
Also Known As: Monoisopropyl phthalate, mono-2-propyl phthalate, 2-propan-2-yloxycarbonylbenzoic acid, isoproyl hydrogen phthalate, Mono isopropyl phthalate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 35118-50-4 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | CXJOEMLCEGZVPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monoisopropyl phthalate (CAS 35118-50-4), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 2-propan-2-yloxycarbonylbenzoic acid.
Chemical Property Profile of Monoisopropyl phthalate
Property Insights of Monoisopropyl phthalate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monoisopropyl phthalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monoisopropyl phthalate. Following Lipinski's Rule of Five, Monoisopropyl phthalate has 1 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 Monoisopropyl phthalate?
The CAS number of Monoisopropyl phthalate is 35118-50-4.
What is the molecular formula of Monoisopropyl phthalate?
The molecular formula of Monoisopropyl phthalate is C11H12O4.
What is the molecular weight of Monoisopropyl phthalate?
The molecular weight of Monoisopropyl phthalate is 208.07 g/mol.
Where can I buy Monoisopropyl phthalate?
You can request a quote for Monoisopropyl phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoisopropyl phthalate?
Yes, KEHONG BIO provides custom synthesis services for Monoisopropyl phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.