(1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide
TL;DR: (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide (CAS 351459-00-2) is a chemical compound with molecular formula C12H17N3OS and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-3-(1,2,5-trimethyl-4-oxopiperidin-3-yl)prop-2-enethioamide
Also Known As: (1,2,5-trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide, 2-cyano-3-(1,2,5-trimethyl-4-oxo-3-piperidyl)prop-2-enethioamide, 2-cyano-3-(1,2,5-trimethyl-4-oxo-3-piperidinyl)-2-propenethioamide, 2-cyano-3-(1,2,5-trimethyl-4-oxopiperidin-3-yl)prop-2-enethioamide
| Molecular Formula | C12H17N3OS |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 0.87778 |
| Topological Polar Surface Area | 70.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.10924 |
| Heavy Atoms | 17 |
| Complexity | 410.46402 |
Chemical Identifiers
| CAS Number | 351459-00-2 |
|---|---|
| SMILES | CC1CN(C(C(C1=O)C=C(C#N)C(=S)N)C)C |
Product Overview
(1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide (CAS 351459-00-2), with molecular formula C12H17N3OS and molecular weight 251.11 g/mol. IUPAC: 2-cyano-3-(1,2,5-trimethyl-4-oxopiperidin-3-yl)prop-2-enethioamide.
Chemical Property Profile of (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide
Property Insights of (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide
The XLogP value of 0.87778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide. The TPSA of 70.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide. Following Lipinski's Rule of Five, (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide has 1 hydrogen bond donor(s) and 4 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 (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide?
The CAS number of (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide is 351459-00-2.
What is the molecular formula of (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide?
The molecular formula of (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide is C12H17N3OS.
What is the molecular weight of (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide?
The molecular weight of (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide is 251.11 g/mol.
Where can I buy (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide?
You can request a quote for (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide?
Yes, KEHONG BIO provides custom synthesis services for (1,2,5-Trimethyl-4-oxopiperid-3-yl)methylenecyanothioacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.