Phthalic acid, methyl 2-propyl ester
TL;DR: Phthalic acid, methyl 2-propyl ester (CAS 34006-78-5) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-methyl 2-O-propyl benzene-1,2-dicarboxylate
Also Known As: methyl propyl phthalate, propyl methyl phthalate, 1-methyl 2-propyl phthalate, Phthalic acid, methyl 2-propyl ester, Phthalsaeure-methylester-propylester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 34006-78-5 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | DIKFCKYFIUJMJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalic acid, methyl 2-propyl ester (CAS 34006-78-5), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: 1-O-methyl 2-O-propyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Phthalic acid, methyl 2-propyl ester
Property Insights of Phthalic acid, methyl 2-propyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalic acid, methyl 2-propyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Phthalic acid, methyl 2-propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalic acid, methyl 2-propyl ester 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 Phthalic acid, methyl 2-propyl ester?
The CAS number of Phthalic acid, methyl 2-propyl ester is 34006-78-5.
What is the molecular formula of Phthalic acid, methyl 2-propyl ester?
The molecular formula of Phthalic acid, methyl 2-propyl ester is C12H14O4.
What is the molecular weight of Phthalic acid, methyl 2-propyl ester?
The molecular weight of Phthalic acid, methyl 2-propyl ester is 222.09 g/mol.
Where can I buy Phthalic acid, methyl 2-propyl ester?
You can request a quote for Phthalic acid, methyl 2-propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalic acid, methyl 2-propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, methyl 2-propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.