IDI1_008096
TL;DR: IDI1_008096 (CAS 735320-49-7) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile
Also Known As: IDI1_008096, (2Z)-2-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile, 2-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(piperidin-1-yl)propanenitrile
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 2.8225 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 744.8759 |
Chemical Identifiers
| CAS Number | 735320-49-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N\2C(=O)CS/C2=C(/C#N)\C(=O)N3CCCCC3 |
Product Overview
IDI1_008096 (CAS 735320-49-7), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: (2Z)-2-[3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile.
Chemical Property Profile of IDI1_008096
Property Insights of IDI1_008096
The XLogP value of 2.8225 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_008096. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_008096. Following Lipinski's Rule of Five, IDI1_008096 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 IDI1_008096?
The CAS number of IDI1_008096 is 735320-49-7.
What is the molecular formula of IDI1_008096?
The molecular formula of IDI1_008096 is C18H19N3O2S.
What is the molecular weight of IDI1_008096?
The molecular weight of IDI1_008096 is 341.12 g/mol.
Where can I buy IDI1_008096?
You can request a quote for IDI1_008096 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_008096?
Yes, KEHONG BIO provides custom synthesis services for IDI1_008096 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.