IFLab1_000441
TL;DR: IFLab1_000441 (CAS 306280-29-5) is a chemical compound with molecular formula C13H14N4S2 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
Also Known As: IFLab1_000441, IDI1_008660, 4,6-dimethyl-2-[(3-methylimidazo[2,1-b]1,3-thiazolin-6-yl)methylthio]pyrimidin e, 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-3-methylimidazo[2,1-b]thiazole, 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
| Molecular Formula | C13H14N4S2 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 96.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.06598 |
| Heavy Atoms | 19 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 306280-29-5 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=CN3C(=CSC3=N2)C)C |
| InChIKey | QAWPOYKIVYYYAB-UHFFFAOYSA-N |
Product Overview
IFLab1_000441 (CAS 306280-29-5), with molecular formula C13H14N4S2 and molecular weight 290.07 g/mol. IUPAC: 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.
Chemical Property Profile of IFLab1_000441
Property Insights of IFLab1_000441
The XLogP value of 3.7 indicates that IFLab1_000441 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.6 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_000441. Following Lipinski's Rule of Five, IFLab1_000441 has 0 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 IFLab1_000441?
The CAS number of IFLab1_000441 is 306280-29-5.
What is the molecular formula of IFLab1_000441?
The molecular formula of IFLab1_000441 is C13H14N4S2.
What is the molecular weight of IFLab1_000441?
The molecular weight of IFLab1_000441 is 290.07 g/mol.
Where can I buy IFLab1_000441?
You can request a quote for IFLab1_000441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_000441?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_000441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.