IDI1_022254
TL;DR: IDI1_022254 (CAS 494825-97-7) is a chemical compound with molecular formula C18H18N4OS2 and molecular weight 370.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
Also Known As: IDI1_022254, AF-399/41219665, BRD-K94171359-001-01-6, 4,6-dimethyl-2-{[(5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]sulfanyl}pyrimidine, F1178-0006
| Molecular Formula | C18H18N4OS2 |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | 4.57424 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.0922 |
| Heavy Atoms | 25 |
| Complexity | 829.04224 |
Chemical Identifiers
| CAS Number | 494825-97-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC2=NN=C(O2)SC/C=C/C3=CC=CC=C3)C |
Product Overview
IDI1_022254 (CAS 494825-97-7), with molecular formula C18H18N4OS2 and molecular weight 370.09 g/mol. IUPAC: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazole.
Chemical Property Profile of IDI1_022254
Property Insights of IDI1_022254
The XLogP value of 4.57424 indicates that IDI1_022254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_022254. Following Lipinski's Rule of Five, IDI1_022254 has 0 hydrogen bond donor(s) and 7 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 IDI1_022254?
The CAS number of IDI1_022254 is 494825-97-7.
What is the molecular formula of IDI1_022254?
The molecular formula of IDI1_022254 is C18H18N4OS2.
What is the molecular weight of IDI1_022254?
The molecular weight of IDI1_022254 is 370.09 g/mol.
Where can I buy IDI1_022254?
You can request a quote for IDI1_022254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_022254?
Yes, KEHONG BIO provides custom synthesis services for IDI1_022254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.