Phthalic acid, benzyl methyl ester
TL;DR: Phthalic acid, benzyl methyl ester (CAS 1225-85-0) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-benzyl 1-O-methyl benzene-1,2-dicarboxylate
Also Known As: Phthalic acid, benzyl methyl ester, METHYLBENZYL PHTHALATE, BENZYL METHYL PHTHALATE, Phthalic acid 1-benzyl 2-methyl ester, 1-benzyl 2-methyl benzene-1,2-dicarboxylate
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.8302 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 604.8837 |
Chemical Identifiers
| CAS Number | 1225-85-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
Product Overview
Phthalic acid, benzyl methyl ester (CAS 1225-85-0), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 2-O-benzyl 1-O-methyl benzene-1,2-dicarboxylate.
Chemical Property Profile of Phthalic acid, benzyl methyl ester
Property Insights of Phthalic acid, benzyl methyl ester
The XLogP value of 2.8302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalic acid, benzyl methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Phthalic acid, benzyl methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phthalic acid, benzyl methyl 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, benzyl methyl ester?
The CAS number of Phthalic acid, benzyl methyl ester is 1225-85-0.
What is the molecular formula of Phthalic acid, benzyl methyl ester?
The molecular formula of Phthalic acid, benzyl methyl ester is C16H14O4.
What is the molecular weight of Phthalic acid, benzyl methyl ester?
The molecular weight of Phthalic acid, benzyl methyl ester is 270.09 g/mol.
Where can I buy Phthalic acid, benzyl methyl ester?
You can request a quote for Phthalic acid, benzyl methyl 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, benzyl methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, benzyl methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.