RefChem:370050
TL;DR: RefChem:370050 (CAS 51749-95-2) is a chemical compound with molecular formula C31H33ClNOP and molecular weight 501.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-diphenylphosphoryl-3,3-diphenylpropyl)pyrrolidine;hydrochloride
Also Known As: KST-1B4875, Phosphine oxide, diphenyl((1,1-diphenyl-3-pyrrolidinyl)propyl)-, hydrochloride, 1-(1,1-Diphenyl-3-pyrrolidinylpropyl)diphenylphosphine oxide hydrochloride, 1-[3-(diphenylphosphoryl)-3,3-diphenylpropyl]pyrrolidine hydrochloride(1:1), Phosphine oxide, diphenyl((alpha-phenyl-alpha-((2-pyrrolidinyl)ethyl))benzyl)-, hydrochloride
| Molecular Formula | C31H33ClNOP |
|---|---|
| Molecular Weight | 501.20 g/mol |
| LogP | 6.85 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.19882 |
| Heavy Atoms | 35 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 51749-95-2 |
|---|---|
| SMILES | C1CCN(C1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5.Cl |
| InChIKey | QGQDNGRTSFWYOL-UHFFFAOYSA-N |
Product Overview
RefChem:370050 (CAS 51749-95-2), with molecular formula C31H33ClNOP and molecular weight 501.20 g/mol. IUPAC: 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)pyrrolidine;hydrochloride.
Chemical Property Profile of RefChem:370050
Property Insights of RefChem:370050
The XLogP value of 6.85 indicates that RefChem:370050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, RefChem:370050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:370050 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:370050?
The CAS number of RefChem:370050 is 51749-95-2.
What is the molecular formula of RefChem:370050?
The molecular formula of RefChem:370050 is C31H33ClNOP.
What is the molecular weight of RefChem:370050?
The molecular weight of RefChem:370050 is 501.20 g/mol.
Where can I buy RefChem:370050?
You can request a quote for RefChem:370050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:370050?
Yes, KEHONG BIO provides custom synthesis services for RefChem:370050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.