IFLab1_003276
TL;DR: IFLab1_003276 (CAS 307512-53-4) is a chemical compound with molecular formula C20H18N4OS and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
Also Known As: IFLab1_003276, 2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethanone, 1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one, 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone, 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
| Molecular Formula | C20H18N4OS |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 4.11184 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.12012 |
| Heavy Atoms | 26 |
| Complexity | 1081.8457 |
Chemical Identifiers
| CAS Number | 307512-53-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
IFLab1_003276 (CAS 307512-53-4), with molecular formula C20H18N4OS and molecular weight 362.12 g/mol. IUPAC: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone.
Chemical Property Profile of IFLab1_003276
Property Insights of IFLab1_003276
The XLogP value of 4.11184 indicates that IFLab1_003276 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, IFLab1_003276 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IFLab1_003276 has 0 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 IFLab1_003276?
The CAS number of IFLab1_003276 is 307512-53-4.
What is the molecular formula of IFLab1_003276?
The molecular formula of IFLab1_003276 is C20H18N4OS.
What is the molecular weight of IFLab1_003276?
The molecular weight of IFLab1_003276 is 362.12 g/mol.
Where can I buy IFLab1_003276?
You can request a quote for IFLab1_003276 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003276?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003276 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.