CHIR99021
TL;DR: CHIR99021 (CAS 252917-06-9) is a chemical compound with molecular formula C22H18Cl2N8 and molecular weight 464.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CHIR99021
6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile
Also Known As: laduviglusib, CHIR 99021, Laduviglusib [USAN], Laduviglusib (GMP), GSK-3 Inhibitor XVI
| Molecular Formula | C22H18Cl2N8 |
|---|---|
| Molecular Weight | 464.10 g/mol |
| LogP | 4.9396 |
| Topological Polar Surface Area | 115.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.10315 |
| Heavy Atoms | 32 |
| Complexity | 1278.0831 |
Chemical Identifiers
| CAS Number | 252917-06-9 |
|---|---|
| SMILES | CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N |
Product Overview
CHIR99021 (CAS 252917-06-9), with molecular formula C22H18Cl2N8 and molecular weight 464.10 g/mol. IUPAC: 6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile.
Chemical Property Profile of CHIR99021
Property Insights of CHIR99021
The XLogP value of 4.9396 indicates that Chemical Compound (C22H18Cl2N8) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.2 Ų falls within the moderate polarity range, balancing permeability and solubility for CHIR99021. Following Lipinski's Rule of Five, Chemical Compound (C22H18Cl2N8) has 3 hydrogen bond donor(s) and 7 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 Chemical Compound (C22H18Cl2N8)?
The CAS number of Chemical Compound (C22H18Cl2N8) is 252917-06-9.
What is the molecular formula of Chemical Compound (C22H18Cl2N8)?
The molecular formula of Chemical Compound (C22H18Cl2N8) is C22H18Cl2N8.
What is the molecular weight of Chemical Compound (C22H18Cl2N8)?
The molecular weight of Chemical Compound (C22H18Cl2N8) is 464.10 g/mol.
Where can I buy Chemical Compound (C22H18Cl2N8)?
You can request a quote for Chemical Compound (C22H18Cl2N8) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C22H18Cl2N8)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C22H18Cl2N8) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.