Mono(alpha-ethyl-alpha-methylbenzyl) phthalate
TL;DR: Mono(alpha-ethyl-alpha-methylbenzyl) phthalate (CAS 98656-14-5) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylbutan-2-yloxycarbonyl)benzoic acid
Also Known As: 2-(2-phenylbutan-2-yloxycarbonyl)benzoic Acid, 2-{[(2-phenylbutan-2-yl)oxy]carbonyl}benzoic acid, 1-(1-Methyl-1-phenylpropyl) 1,2-benzenedicarboxylate, MONO(ALPHA-ETHYL-ALPHA-METHYLBENZYL) PHTHALATE
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 98656-14-5 |
|---|---|
| SMILES | CCC(C)(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | AYBLOUHFXUMBBK-UHFFFAOYSA-N |
Product Overview
Mono(alpha-ethyl-alpha-methylbenzyl) phthalate (CAS 98656-14-5), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 2-(2-phenylbutan-2-yloxycarbonyl)benzoic acid.
Chemical Property Profile of Mono(alpha-ethyl-alpha-methylbenzyl) phthalate
Property Insights of Mono(alpha-ethyl-alpha-methylbenzyl) phthalate
The XLogP value of 3.9 indicates that Mono(alpha-ethyl-alpha-methylbenzyl) 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(alpha-ethyl-alpha-methylbenzyl) phthalate. Following Lipinski's Rule of Five, Mono(alpha-ethyl-alpha-methylbenzyl) 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(alpha-ethyl-alpha-methylbenzyl) phthalate?
The CAS number of Mono(alpha-ethyl-alpha-methylbenzyl) phthalate is 98656-14-5.
What is the molecular formula of Mono(alpha-ethyl-alpha-methylbenzyl) phthalate?
The molecular formula of Mono(alpha-ethyl-alpha-methylbenzyl) phthalate is C18H18O4.
What is the molecular weight of Mono(alpha-ethyl-alpha-methylbenzyl) phthalate?
The molecular weight of Mono(alpha-ethyl-alpha-methylbenzyl) phthalate is 298.12 g/mol.
Where can I buy Mono(alpha-ethyl-alpha-methylbenzyl) phthalate?
You can request a quote for Mono(alpha-ethyl-alpha-methylbenzyl) phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono(alpha-ethyl-alpha-methylbenzyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(alpha-ethyl-alpha-methylbenzyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.