![(S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide structure](/static/products/121/1212409-47-6.png)
(S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide
TL;DR: (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide (CAS 1212409-47-6) is a chemical compound with molecular formula C18H29N5O2S and molecular weight 379.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-4-methylsulfanyl-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylbutan-2-yl]propanamide
Also Known As: (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide, N-[(2S)-4-methylsulfanyl-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylbutan-2-yl]propanamide
| Molecular Formula | C18H29N5O2S |
|---|---|
| Molecular Weight | 379.20 g/mol |
| LogP | 1.021 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.2042 |
| Heavy Atoms | 26 |
| Complexity | 639.2809 |
Chemical Identifiers
| CAS Number | 1212409-47-6 |
|---|---|
| SMILES | CCC(=O)N[C@@H](CCSC)C(=O)N1CCC2(CC1)C3=C(CCN2)NC=N3 |
Product Overview
(S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide (CAS 1212409-47-6), with molecular formula C18H29N5O2S and molecular weight 379.20 g/mol. IUPAC: N-[(2S)-4-methylsulfanyl-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylbutan-2-yl]propanamide.
Chemical Property Profile of (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide
Property Insights of (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide
The XLogP value of 1.021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide. The TPSA of 90.12 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide. Following Lipinski's Rule of Five, (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide has 3 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 (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide?
The CAS number of (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide is 1212409-47-6.
What is the molecular formula of (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide?
The molecular formula of (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide is C18H29N5O2S.
What is the molecular weight of (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide?
The molecular weight of (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide is 379.20 g/mol.
Where can I buy (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide?
You can request a quote for (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(4-(methylthio)-1-oxo-1-(1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidin]-1'-yl)butan-2-yl)propionamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.