Mono(P-methoxy-alpha-methylbenzyl) phthalate
TL;DR: Mono(P-methoxy-alpha-methylbenzyl) phthalate (CAS 33533-57-2) is a chemical compound with molecular formula C17H16O5 and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methoxyphenyl)ethoxycarbonyl]benzoic acid
Also Known As: MONO(P-METHOXY-ALPHA-METHYLBENZYL) PHTHALATE, J1.616.950A, 2-{[1-(4-methoxyphenyl)ethoxy]carbonyl}benzoic acid, 2-[1-(4-methoxyphenyl)ethoxycarbonyl]benzoic acid, Phthalic acid hydrogen 1-(4-methoxy-alpha-methyl-benzyl) ester
| Molecular Formula | C17H16O5 |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.09976 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 33533-57-2 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)OC)OC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | KWMHLDNRVJCVDQ-UHFFFAOYSA-N |
Product Overview
Mono(P-methoxy-alpha-methylbenzyl) phthalate (CAS 33533-57-2), with molecular formula C17H16O5 and molecular weight 300.10 g/mol. IUPAC: 2-[1-(4-methoxyphenyl)ethoxycarbonyl]benzoic acid.
Chemical Property Profile of Mono(P-methoxy-alpha-methylbenzyl) phthalate
Property Insights of Mono(P-methoxy-alpha-methylbenzyl) phthalate
The XLogP value of 3.2 indicates that Mono(P-methoxy-alpha-methylbenzyl) phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono(P-methoxy-alpha-methylbenzyl) phthalate. Following Lipinski's Rule of Five, Mono(P-methoxy-alpha-methylbenzyl) phthalate has 1 hydrogen bond donor(s) and 5 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-methoxy-alpha-methylbenzyl) phthalate?
The CAS number of Mono(P-methoxy-alpha-methylbenzyl) phthalate is 33533-57-2.
What is the molecular formula of Mono(P-methoxy-alpha-methylbenzyl) phthalate?
The molecular formula of Mono(P-methoxy-alpha-methylbenzyl) phthalate is C17H16O5.
What is the molecular weight of Mono(P-methoxy-alpha-methylbenzyl) phthalate?
The molecular weight of Mono(P-methoxy-alpha-methylbenzyl) phthalate is 300.10 g/mol.
Where can I buy Mono(P-methoxy-alpha-methylbenzyl) phthalate?
You can request a quote for Mono(P-methoxy-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(P-methoxy-alpha-methylbenzyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(P-methoxy-alpha-methylbenzyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.