IDI1_021821
TL;DR: IDI1_021821 (CAS 445222-70-8) is a chemical compound with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Also Known As: IDI1_021821, BRD-A98507933-001-01-4, isopropyl 5-amino-6-cyano-3-oxo-7-(3-pyridinyl)-2-(3-pyridinylmethylene)-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, propan-2-yl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate, (Z)-isopropyl 5-amino-6-cyano-3-oxo-7-(pyridin-3-yl)-2-(pyridin-3-ylmethylene)-3,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carboxylate
| Molecular Formula | C23H19N5O3S |
|---|---|
| Molecular Weight | 445.12 g/mol |
| LogP | 1.07918 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.12085 |
| Heavy Atoms | 32 |
| Complexity | 1430.7228 |
Chemical Identifiers
| CAS Number | 445222-70-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C2N(C(=C(C1C3=CN=CC=C3)C#N)N)C(=O)/C(=C/C4=CN=CC=C4)/S2 |
Product Overview
IDI1_021821 (CAS 445222-70-8), with molecular formula C23H19N5O3S and molecular weight 445.12 g/mol. IUPAC: propan-2-yl (2Z)-5-amino-6-cyano-3-oxo-7-pyridin-3-yl-2-(pyridin-3-ylmethylidene)-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate.
Chemical Property Profile of IDI1_021821
Property Insights of IDI1_021821
The XLogP value of 1.07918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_021821. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_021821. Following Lipinski's Rule of Five, IDI1_021821 has 1 hydrogen bond donor(s) and 8 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_021821?
The CAS number of IDI1_021821 is 445222-70-8.
What is the molecular formula of IDI1_021821?
The molecular formula of IDI1_021821 is C23H19N5O3S.
What is the molecular weight of IDI1_021821?
The molecular weight of IDI1_021821 is 445.12 g/mol.
Where can I buy IDI1_021821?
You can request a quote for IDI1_021821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_021821?
Yes, KEHONG BIO provides custom synthesis services for IDI1_021821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.