Phthalic acid, mono(o-methylbenzyl) ester
TL;DR: Phthalic acid, mono(o-methylbenzyl) ester (CAS 4619-49-2) 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-[(2-methylphenyl)methoxycarbonyl]benzoic acid
Also Known As: Phthalicacidhydrogen1- ester, Phthalic acid, mono(o-methylbenzyl) ester, 2-[(2-methylphenyl)methoxycarbonyl]benzoate, 2-{[(2-methylbenzyl)oxy]carbonyl}benzoic acid, 2-[(2-methylphenyl)methoxycarbonyl]benzoic acid
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 4619-49-2 |
|---|---|
| SMILES | CC1=CC=CC=C1COC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | KVSMKDGBGJGRRY-UHFFFAOYSA-N |
Product Overview
Phthalic acid, mono(o-methylbenzyl) ester (CAS 4619-49-2), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 2-[(2-methylphenyl)methoxycarbonyl]benzoic acid.
Chemical Property Profile of Phthalic acid, mono(o-methylbenzyl) ester
Property Insights of Phthalic acid, mono(o-methylbenzyl) ester
The XLogP value of 3.2 indicates that Phthalic acid, mono(o-methylbenzyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalic acid, mono(o-methylbenzyl) ester. Following Lipinski's Rule of Five, Phthalic acid, mono(o-methylbenzyl) ester 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 Phthalic acid, mono(o-methylbenzyl) ester?
The CAS number of Phthalic acid, mono(o-methylbenzyl) ester is 4619-49-2.
What is the molecular formula of Phthalic acid, mono(o-methylbenzyl) ester?
The molecular formula of Phthalic acid, mono(o-methylbenzyl) ester is C16H14O4.
What is the molecular weight of Phthalic acid, mono(o-methylbenzyl) ester?
The molecular weight of Phthalic acid, mono(o-methylbenzyl) ester is 270.09 g/mol.
Where can I buy Phthalic acid, mono(o-methylbenzyl) ester?
You can request a quote for Phthalic acid, mono(o-methylbenzyl) 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, mono(o-methylbenzyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phthalic acid, mono(o-methylbenzyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.