![(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide structure](/static/products/121/1212423-84-1.png)
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
TL;DR: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (CAS 1212423-84-1) is a chemical compound with molecular formula C20H24N4O2S2 and molecular weight 416.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxobutanamide
Also Known As: (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide, 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxobutanamide
| Molecular Formula | C20H24N4O2S2 |
|---|---|
| Molecular Weight | 416.13 g/mol |
| LogP | 3.98114 |
| Topological Polar Surface Area | 76.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.13406 |
| Heavy Atoms | 28 |
| Complexity | 979.6597 |
Chemical Identifiers
| CAS Number | 1212423-84-1 |
|---|---|
| SMILES | CC1=CC(=C(S1)C)C(=O)CCC(=O)N[C@@H](CCSC)C2=NN=C3N2C=CC=C3 |
Product Overview
(S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (CAS 1212423-84-1), with molecular formula C20H24N4O2S2 and molecular weight 416.13 g/mol. IUPAC: 4-(2,5-dimethylthiophen-3-yl)-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-oxobutanamide.
Chemical Property Profile of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
Property Insights of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
The XLogP value of 3.98114 indicates that (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide. Following Lipinski's Rule of Five, (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide has 1 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 (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The CAS number of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is 1212423-84-1.
What is the molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The molecular formula of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is C20H24N4O2S2.
What is the molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The molecular weight of (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is 416.13 g/mol.
Where can I buy (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
You can request a quote for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-3-(methylthio)propyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.