2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate
TL;DR: 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate (CAS 5222-97-9) is a chemical compound with molecular formula C12H22N2OS4 and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-acetamidoethyldisulfanyl)ethyl piperidine-1-carbodithioate
Also Known As: cis-1,3-hexadien-5-yne, 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate, 2-(2-acetamidoethyldisulfanyl)ethyl piperidine-1-carbodithioate, ACETAMIDE, N-(2-((2-MERCAPTOETHYL)DITHIO)ETHYL)-, 1-PIPERIDINECARBODITHIOIC ACID, 2-((2-(ACETYLAMINO)ETHYL)DITHIO)ETHYL ESTER
| Molecular Formula | C12H22N2OS4 |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.0615 |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 5222-97-9 |
|---|---|
| SMILES | CC(=O)NCCSSCCSC(=S)N1CCCCC1 |
| InChIKey | SCTFUVSGQYIGNR-UHFFFAOYSA-N |
Product Overview
2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate (CAS 5222-97-9), with molecular formula C12H22N2OS4 and molecular weight 338.06 g/mol. IUPAC: 2-(2-acetamidoethyldisulfanyl)ethyl piperidine-1-carbodithioate.
Chemical Property Profile of 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate
Property Insights of 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate. The TPSA of 140.0 Ų indicates high polarity, suggesting 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate has 1 hydrogen bond donor(s) and 5 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 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate?
The CAS number of 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate is 5222-97-9.
What is the molecular formula of 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate?
The molecular formula of 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate is C12H22N2OS4.
What is the molecular weight of 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate?
The molecular weight of 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate is 338.06 g/mol.
Where can I buy 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate?
You can request a quote for 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(Acetylamino)ethyl)dithio)ethyl 1-piperidinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.