IDI1_020217
TL;DR: IDI1_020217 (CAS 304893-13-8) is a chemical compound with molecular formula C19H13ClN2O2S2 and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(3-chlorophenyl)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: IDI1_020217, BAS 00836825, 3-[3-(3-chlorophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2H-indol-2-one, AF-399/11786021, BRD-K52591910-001-01-7
| Molecular Formula | C19H13ClN2O2S2 |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 4.4825 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.0107 |
| Heavy Atoms | 26 |
| Complexity | 1002.5386 |
Chemical Identifiers
| CAS Number | 304893-13-8 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C4=CC(=CC=C4)Cl)/C1=O |
Product Overview
IDI1_020217 (CAS 304893-13-8), with molecular formula C19H13ClN2O2S2 and molecular weight 400.01 g/mol. IUPAC: (5Z)-3-(3-chlorophenyl)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of IDI1_020217
Property Insights of IDI1_020217
The XLogP value of 4.4825 indicates that IDI1_020217 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, IDI1_020217 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_020217 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_020217?
The CAS number of IDI1_020217 is 304893-13-8.
What is the molecular formula of IDI1_020217?
The molecular formula of IDI1_020217 is C19H13ClN2O2S2.
What is the molecular weight of IDI1_020217?
The molecular weight of IDI1_020217 is 400.01 g/mol.
Where can I buy IDI1_020217?
You can request a quote for IDI1_020217 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_020217?
Yes, KEHONG BIO provides custom synthesis services for IDI1_020217 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.