2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid
TL;DR: 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid (CAS 82045-53-2) is a chemical compound with molecular formula C25H25O4P and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid
Also Known As: 2-(4-diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methyl-benzoic acid, 2-(4-diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid
| Molecular Formula | C25H25O4P |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.14905 |
| Heavy Atoms | 30 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 82045-53-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1OC)C(=CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)O |
| InChIKey | LJDMTIOWAVMTTR-UHFFFAOYSA-N |
Product Overview
2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid (CAS 82045-53-2), with molecular formula C25H25O4P and molecular weight 420.15 g/mol. IUPAC: 2-(4-diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid.
Chemical Property Profile of 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid
Property Insights of 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid
The XLogP value of 5.1 indicates that 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid 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 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid. Following Lipinski's Rule of Five, 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid?
The CAS number of 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid is 82045-53-2.
What is the molecular formula of 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid?
The molecular formula of 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid is C25H25O4P.
What is the molecular weight of 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid?
The molecular weight of 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid is 420.15 g/mol.
Where can I buy 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid?
You can request a quote for 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Diphenylphosphorylbut-2-en-2-yl)-4-methoxy-5-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.