Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate
TL;DR: Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate (CAS 70644-48-3) is a chemical compound with molecular formula C15H28N4S2 and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-piperidin-4-ylpropyl)piperidine;thiocyanic acid
Also Known As: Phenol, 2-(2-phenylethyl)-, Thiocyanic acid, compd. with 4,4'-(1,3-propanediyl)bis(piperidine) (2:1), 4-(3-piperidin-4-ylpropyl)piperidine;thiocyanic acid, thiocyanic acid, compd. with 4,4'-(1,3-propanediyl)bis(piperidine)(2:1), Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate
| Molecular Formula | C15H28N4S2 |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 2.95 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.17554 |
| Heavy Atoms | 21 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 70644-48-3 |
|---|---|
| SMILES | C1CNCCC1CCCC2CCNCC2.C(#N)S.C(#N)S |
| InChIKey | ZIFWEUNITNWNCH-UHFFFAOYSA-N |
Product Overview
Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate (CAS 70644-48-3), with molecular formula C15H28N4S2 and molecular weight 328.18 g/mol. IUPAC: 4-(3-piperidin-4-ylpropyl)piperidine;thiocyanic acid.
Chemical Property Profile of Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate
Property Insights of Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate
The XLogP value of 2.95 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate. Following Lipinski's Rule of Five, Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate has 4 hydrogen bond donor(s) and 6 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 Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate?
The CAS number of Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate is 70644-48-3.
What is the molecular formula of Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate?
The molecular formula of Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate is C15H28N4S2.
What is the molecular weight of Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate?
The molecular weight of Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate is 328.18 g/mol.
Where can I buy Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate?
You can request a quote for Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Piperidine, 4,4'-(1,3-propanediyl)bis-, dithiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.