IDI1_020804
TL;DR: IDI1_020804 (CAS 372499-71-3) is a chemical compound with molecular formula C16H14N4O2S2 and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: IDI1_020804, (Z)-5-((2-(allylamino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, F1260-1408, (5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(allylamino)-9-methyl-3-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C16H14N4O2S2 |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | 2.08962 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.05582 |
| Heavy Atoms | 24 |
| Complexity | 962.43915 |
Chemical Identifiers
| CAS Number | 372499-71-3 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)NC(=S)S3)NCC=C |
Product Overview
IDI1_020804 (CAS 372499-71-3), with molecular formula C16H14N4O2S2 and molecular weight 358.06 g/mol. IUPAC: (5Z)-5-[[9-methyl-4-oxo-2-(prop-2-enylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of IDI1_020804
Property Insights of IDI1_020804
The XLogP value of 2.08962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_020804. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_020804. Following Lipinski's Rule of Five, IDI1_020804 has 2 hydrogen bond donor(s) and 6 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_020804?
The CAS number of IDI1_020804 is 372499-71-3.
What is the molecular formula of IDI1_020804?
The molecular formula of IDI1_020804 is C16H14N4O2S2.
What is the molecular weight of IDI1_020804?
The molecular weight of IDI1_020804 is 358.06 g/mol.
Where can I buy IDI1_020804?
You can request a quote for IDI1_020804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_020804?
Yes, KEHONG BIO provides custom synthesis services for IDI1_020804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.