CHIR 98014
TL;DR: CHIR 98014 (CAS 252935-94-7) is a chemical compound with molecular formula C20H17Cl2N9O2 and molecular weight 485.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
Also Known As: N2-(2-((4-(2,4-Dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl)amino)ethyl)-5-nitropyridine-2,6-diamine, CHIR98014(CT98014)/, N6-[2-[[4-(2,4-Dichlorophenyl)-5-(1H-imidazol-2-yl)-2-pyrimidinyl]amino]ethyl]-3-nitro-2,6-pyridinediamine, 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine, 1H-1,5-Benzodisilepin,2,3,4,5-tetrahydro-1,1,5,5-tetramethyl
| Molecular Formula | C20H17Cl2N9O2 |
|---|---|
| Molecular Weight | 485.09 g/mol |
| LogP | 4.2499 |
| Topological Polar Surface Area | 160.57 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.08823 |
| Heavy Atoms | 33 |
| Complexity | 1298.9475 |
Chemical Identifiers
| CAS Number | 252935-94-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2C3=NC=CN3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N |
Product Overview
CHIR 98014 (CAS 252935-94-7), with molecular formula C20H17Cl2N9O2 and molecular weight 485.09 g/mol. IUPAC: 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine.
Chemical Property Profile of CHIR 98014
Property Insights of CHIR 98014
The XLogP value of 4.2499 indicates that CHIR 98014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.57 Ų indicates high polarity, suggesting CHIR 98014 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CHIR 98014 has 4 hydrogen bond donor(s) and 9 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 CHIR 98014?
The CAS number of CHIR 98014 is 252935-94-7.
What is the molecular formula of CHIR 98014?
The molecular formula of CHIR 98014 is C20H17Cl2N9O2.
What is the molecular weight of CHIR 98014?
The molecular weight of CHIR 98014 is 485.09 g/mol.
Where can I buy CHIR 98014?
You can request a quote for CHIR 98014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CHIR 98014?
Yes, KEHONG BIO provides custom synthesis services for CHIR 98014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.