![3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide structure](/static/products/108/108482-60-6.png)
3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide
TL;DR: 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide (CAS 108482-60-6) is a chemical compound with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide
Also Known As: 1-isonicotinoyl-4-isovaleryl thiosemicarbazide, 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide
| Molecular Formula | C12H16N4O2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 0.7632 |
| Topological Polar Surface Area | 83.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0994 |
| Heavy Atoms | 19 |
| Complexity | 462.057 |
Chemical Identifiers
| CAS Number | 108482-60-6 |
|---|---|
| SMILES | CC(C)CC(=O)NC(=S)NNC(=O)C1=CC=NC=C1 |
Product Overview
3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide (CAS 108482-60-6), with molecular formula C12H16N4O2S and molecular weight 280.10 g/mol. IUPAC: 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide.
Chemical Property Profile of 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide
Property Insights of 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide
The XLogP value of 0.7632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide. The TPSA of 83.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide. Following Lipinski's Rule of Five, 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide has 3 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 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide?
The CAS number of 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide is 108482-60-6.
What is the molecular formula of 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide?
The molecular formula of 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide is C12H16N4O2S.
What is the molecular weight of 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide?
The molecular weight of 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide is 280.10 g/mol.
Where can I buy 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide?
You can request a quote for 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.