IDI1_021066
TL;DR: IDI1_021066 (CAS 1451094-91-9) is a chemical compound with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
Also Known As: IDI1_021066, J3.241.164I, BRD-K43919406-001-01-3, (3Z)-1-ALLYL-3-(4-OXO-2-(1-PIPERIDINYL)-1,3-THIAZOL-5(4H)-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONE, (5Z)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one
| Molecular Formula | C19H19N3O2S |
|---|---|
| Molecular Weight | 353.12 g/mol |
| LogP | 3.0456 |
| Topological Polar Surface Area | 52.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 353.1198 |
| Heavy Atoms | 25 |
| Complexity | 821.713 |
Chemical Identifiers
| CAS Number | 1451094-91-9 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2/C(=C/3\C(=O)N=C(S3)N4CCCCC4)/C1=O |
Product Overview
IDI1_021066 (CAS 1451094-91-9), with molecular formula C19H19N3O2S and molecular weight 353.12 g/mol. IUPAC: (5Z)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-2-piperidin-1-yl-1,3-thiazol-4-one.
Chemical Property Profile of IDI1_021066
Property Insights of IDI1_021066
The XLogP value of 3.0456 indicates that IDI1_021066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.98 Ų, IDI1_021066 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, IDI1_021066 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_021066?
The CAS number of IDI1_021066 is 1451094-91-9.
What is the molecular formula of IDI1_021066?
The molecular formula of IDI1_021066 is C19H19N3O2S.
What is the molecular weight of IDI1_021066?
The molecular weight of IDI1_021066 is 353.12 g/mol.
Where can I buy IDI1_021066?
You can request a quote for IDI1_021066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_021066?
Yes, KEHONG BIO provides custom synthesis services for IDI1_021066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.