1,3-双(哌啶-4-基)-2-苯基丙烷二磷酸盐
TL;DR: 1,3-双(哌啶-4-基)-2-苯基丙烷二磷酸盐 (CAS 5498-01-1) is a chemical compound with molecular formula C19H36N2O8P2 and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-双(哌啶-4-基)-2-苯基丙烷二磷酸盐
4-(2-phenyl-3-piperidin-4-ylpropyl)piperidine;phosphoric acid
Also Known As: 1,3-DI(4-PIPERIDYL)-2-PHENYLPROPANE DIPHOSPHATE, Piperidine, 4,4'-(2-phenyltrimethylene)di-, phosphate (1:2), 4-(2-phenyl-3-piperidin-4-ylpropyl)piperidine; phosphoric acid, Phosphoric acid--4,4'-(2-phenylpropane-1,3-diyl)dipiperidine (2/1)
| Molecular Formula | C19H36N2O8P2 |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 1.69 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 482.1947 |
| Heavy Atoms | 31 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 5498-01-1 |
|---|---|
| SMILES | C1CNCCC1CC(CC2CCNCC2)C3=CC=CC=C3.OP(=O)(O)O.OP(=O)(O)O |
| InChIKey | JCPIRJPTYYRWAT-UHFFFAOYSA-N |
Product Overview
1,3-双(哌啶-4-基)-2-苯基丙烷二磷酸盐 (CAS 5498-01-1), with molecular formula C19H36N2O8P2 and molecular weight 482.19 g/mol. IUPAC: 4-(2-phenyl-3-piperidin-4-ylpropyl)piperidine;phosphoric acid.
Chemical Property Profile of 1,3-双(哌啶-4-基)-2-苯基丙烷二磷酸盐
Property Insights of 1,3-双(哌啶-4-基)-2-苯基丙烷二磷酸盐
The XLogP value of 1.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-双(哌啶-4-基)-2-苯基丙烷二磷酸盐. The TPSA of 180.0 Ų indicates high polarity, suggesting 1,3-双(哌啶-4-基)-2-苯基丙烷二磷酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐 has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐?
The CAS number of 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐 is 5498-01-1.
What is the molecular formula of 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐?
The molecular formula of 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐 is C19H36N2O8P2.
What is the molecular weight of 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐?
The molecular weight of 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐 is 482.19 g/mol.
Where can I buy 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐?
You can request a quote for 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐?
Yes, KEHONG BIO provides custom synthesis services for 1,3-双(4-哌啶基)-2-苯基丙烷二磷酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.