4-phenylpiperidin-4-carbonitrile
TL;DR: 4-phenylpiperidin-4-carbonitrile (CAS 5338-97-6) is a chemical compound with molecular formula C23H26N2O9S2 and molecular weight 538.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione;3-phenylbenzene-1,2-disulfonic acid
Also Known As: 4-phenylpiperidin-4-carbonitrile, 1-(3-(4-Morpholinyl)propyl)-1H-pyrrole-2,5-dione(1,1'-biphenyl)-ar,ar'-disulfonate, 1H-Pyrrole-2,5-dione, 1-(3-(4-morpholinyl)propyl)-, (1,1'-biphenyl)-ar,ar'-disulfonate, biphenyl-2,3-disulfonic acid- 1-[3-(morpholin-4-yl)propyl]-1h-pyrrole-2,5-dione(1:1), (1,1'-Biphenyl)-ar,ar'-disulfonic acid, compd. with 1-(3-(4-morpholinyl)propyl)-1H-pyrrole-2,5-dione
| Molecular Formula | C23H26N2O9S2 |
|---|---|
| Molecular Weight | 538.11 g/mol |
| LogP | 1.4807 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.108 |
| Heavy Atoms | 36 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 5338-97-6 |
|---|---|
| SMILES | C1COCCN1CCCN2C(=O)C=CC2=O.C1=CC=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | FCRHTFYQPBQIDG-UHFFFAOYSA-N |
Product Overview
4-phenylpiperidin-4-carbonitrile (CAS 5338-97-6), with molecular formula C23H26N2O9S2 and molecular weight 538.11 g/mol. IUPAC: 1-(3-morpholin-4-ylpropyl)pyrrole-2,5-dione;3-phenylbenzene-1,2-disulfonic acid.
Chemical Property Profile of 4-phenylpiperidin-4-carbonitrile
Property Insights of 4-phenylpiperidin-4-carbonitrile
The XLogP value of 1.4807 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-phenylpiperidin-4-carbonitrile. The TPSA of 175.0 Ų indicates high polarity, suggesting 4-phenylpiperidin-4-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-phenylpiperidin-4-carbonitrile has 2 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 4-phenylpiperidin-4-carbonitrile?
The CAS number of 4-phenylpiperidin-4-carbonitrile is 5338-97-6.
What is the molecular formula of 4-phenylpiperidin-4-carbonitrile?
The molecular formula of 4-phenylpiperidin-4-carbonitrile is C23H26N2O9S2.
What is the molecular weight of 4-phenylpiperidin-4-carbonitrile?
The molecular weight of 4-phenylpiperidin-4-carbonitrile is 538.11 g/mol.
Where can I buy 4-phenylpiperidin-4-carbonitrile?
You can request a quote for 4-phenylpiperidin-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenylpiperidin-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-phenylpiperidin-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.