IDI1_020966
TL;DR: IDI1_020966 (CAS 346643-31-0) is a chemical compound with molecular formula C17H12N2O3S and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: IDI1_020966, A2478/0105281, (E)-5-((E)-3-(furan-2-yl)allylidene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(2E)-3-(FURAN-2-YL)PROP-2-EN-1-YLIDENE]-1-PHENYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, (5E)-5-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C17H12N2O3S |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 2.6671 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.05685 |
| Heavy Atoms | 23 |
| Complexity | 807.6287 |
Chemical Identifiers
| CAS Number | 346643-31-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)/C(=C/C=C/C3=CC=CO3)/C(=O)NC2=S |
Product Overview
IDI1_020966 (CAS 346643-31-0), with molecular formula C17H12N2O3S and molecular weight 324.06 g/mol. IUPAC: (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of IDI1_020966
Property Insights of IDI1_020966
The XLogP value of 2.6671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_020966. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_020966. Following Lipinski's Rule of Five, IDI1_020966 has 1 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 IDI1_020966?
The CAS number of IDI1_020966 is 346643-31-0.
What is the molecular formula of IDI1_020966?
The molecular formula of IDI1_020966 is C17H12N2O3S.
What is the molecular weight of IDI1_020966?
The molecular weight of IDI1_020966 is 324.06 g/mol.
Where can I buy IDI1_020966?
You can request a quote for IDI1_020966 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_020966?
Yes, KEHONG BIO provides custom synthesis services for IDI1_020966 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.