alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate
TL;DR: alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate (CAS 57248-89-2) is a chemical compound with molecular formula C20H22NO4P and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,1-diphenyl-4-pyrrolidin-1-ylbut-2-ynyl) dihydrogen phosphate
Also Known As: EINECS 260-648-7, alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate, (1,1-diphenyl-4-pyrrolidin-1-yl-but-2-ynoxy)phosphonic acid, (1,1-diphenyl-4-pyrrolidin-1-ylbut-2-ynyl) dihydrogen phosphate, 1,1-Diphenyl-4-(pyrrolidin-1-yl)but-2-yn-1-yl dihydrogen phosphate
| Molecular Formula | C20H22NO4P |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 3.1387 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.12863 |
| Heavy Atoms | 26 |
| Complexity | 777.6397 |
Chemical Identifiers
| CAS Number | 57248-89-2 |
|---|---|
| SMILES | C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3)OP(=O)(O)O |
Product Overview
alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate (CAS 57248-89-2), with molecular formula C20H22NO4P and molecular weight 371.13 g/mol. IUPAC: (1,1-diphenyl-4-pyrrolidin-1-ylbut-2-ynyl) dihydrogen phosphate.
Chemical Property Profile of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate
Property Insights of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate
The XLogP value of 3.1387 indicates that alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate. Following Lipinski's Rule of Five, alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate has 2 hydrogen bond donor(s) and 3 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 alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate?
The CAS number of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate is 57248-89-2.
What is the molecular formula of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate?
The molecular formula of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate is C20H22NO4P.
What is the molecular weight of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate?
The molecular weight of alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate is 371.13 g/mol.
Where can I buy alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate?
You can request a quote for alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Phenyl-alpha-(3-(1-pyrrolidinyl)prop-1-ynyl)toluene-alpha-olphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.