Mono(P-alpha-dimethylbenzyl) phthalate
TL;DR: Mono(P-alpha-dimethylbenzyl) phthalate (CAS 23005-56-3) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methylphenyl)ethoxycarbonyl]benzoic acid
Also Known As: MONO(P-ALPHA-DIMETHYLBENZYL) PHTHALATE, J1.610.397G, 2-{[1-(4-methylphenyl)ethoxy]carbonyl}benzoic acid, 2-[1-(4-methylphenyl)ethoxycarbonyl]benzoic acid, Phthalic acid hydrogen 1-[1-(4-methylphenyl)ethyl] ester
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 23005-56-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)OC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | JSIGNCSNGUIZKU-UHFFFAOYSA-N |
Product Overview
Mono(P-alpha-dimethylbenzyl) phthalate (CAS 23005-56-3), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 2-[1-(4-methylphenyl)ethoxycarbonyl]benzoic acid.
Chemical Property Profile of Mono(P-alpha-dimethylbenzyl) phthalate
Property Insights of Mono(P-alpha-dimethylbenzyl) phthalate
The XLogP value of 3.4 indicates that Mono(P-alpha-dimethylbenzyl) phthalate 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 Mono(P-alpha-dimethylbenzyl) phthalate. Following Lipinski's Rule of Five, Mono(P-alpha-dimethylbenzyl) 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 Mono(P-alpha-dimethylbenzyl) phthalate?
The CAS number of Mono(P-alpha-dimethylbenzyl) phthalate is 23005-56-3.
What is the molecular formula of Mono(P-alpha-dimethylbenzyl) phthalate?
The molecular formula of Mono(P-alpha-dimethylbenzyl) phthalate is C17H16O4.
What is the molecular weight of Mono(P-alpha-dimethylbenzyl) phthalate?
The molecular weight of Mono(P-alpha-dimethylbenzyl) phthalate is 284.10 g/mol.
Where can I buy Mono(P-alpha-dimethylbenzyl) phthalate?
You can request a quote for Mono(P-alpha-dimethylbenzyl) phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono(P-alpha-dimethylbenzyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(P-alpha-dimethylbenzyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.