Monopropyl Phthalate
TL;DR: Monopropyl Phthalate (CAS 4376-19-6) 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-propoxycarbonylbenzoic acid
Also Known As: Monopropyl Phthalate, 2-(propoxycarbonyl)benzoic acid, 2-propoxycarbonylbenzoic acid, MONOPROPYLPHTHALATE, Mono-n-propyl phthalate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 4376-19-6 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | NFOQRIXSEYVCJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monopropyl Phthalate (CAS 4376-19-6), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 2-propoxycarbonylbenzoic acid.
Chemical Property Profile of Monopropyl Phthalate
Property Insights of Monopropyl Phthalate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monopropyl Phthalate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Monopropyl Phthalate. Following Lipinski's Rule of Five, Monopropyl 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 Monopropyl Phthalate?
The CAS number of Monopropyl Phthalate is 4376-19-6.
What is the molecular formula of Monopropyl Phthalate?
The molecular formula of Monopropyl Phthalate is C11H12O4.
What is the molecular weight of Monopropyl Phthalate?
The molecular weight of Monopropyl Phthalate is 208.07 g/mol.
Where can I buy Monopropyl Phthalate?
You can request a quote for Monopropyl Phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monopropyl Phthalate?
Yes, KEHONG BIO provides custom synthesis services for Monopropyl Phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.