N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea
TL;DR: N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea (CAS 791793-89-0) is a chemical compound with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)carbamothioyl]-2-methylpropanamide
Also Known As: AN-329/42613551, N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea, N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)carbamothioyl]-2-methylpropanamide, N-{[(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)amino]carbonothioyl}-2-methylpropanamide, N-[(3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)carbamothioyl]-2-methylpropanamide
| Molecular Formula | C13H16N4O2S |
|---|---|
| Molecular Weight | 292.10 g/mol |
| LogP | 0.93742 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.0994 |
| Heavy Atoms | 20 |
| Complexity | 655.5606 |
Chemical Identifiers
| CAS Number | 791793-89-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1NC(=S)NC(=O)C(C)C)C#N)C |
Product Overview
N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea (CAS 791793-89-0), with molecular formula C13H16N4O2S and molecular weight 292.10 g/mol. IUPAC: N-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)carbamothioyl]-2-methylpropanamide.
Chemical Property Profile of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea
Property Insights of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea
The XLogP value of 0.93742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea. The TPSA of 86.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea. Following Lipinski's Rule of Five, N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea has 2 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 N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea?
The CAS number of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea is 791793-89-0.
What is the molecular formula of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea?
The molecular formula of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea is C13H16N4O2S.
What is the molecular weight of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea?
The molecular weight of N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea is 292.10 g/mol.
Where can I buy N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea?
You can request a quote for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-N'-isobutyrylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.