2H-969
TL;DR: 2H-969 (CAS 400079-35-8) is a chemical compound with molecular formula C24H18Cl2F6N8O3 and molecular weight 650.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2H-969, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile, 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C24H18Cl2F6N8O3 |
|---|---|
| Molecular Weight | 650.08 g/mol |
| LogP | 3.26438 |
| Topological Polar Surface Area | 120.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 650.0783 |
| Heavy Atoms | 43 |
| Complexity | 1726.3375 |
Chemical Identifiers
| CAS Number | 400079-35-8 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C(=O)N(C2=O)CC(=O)N3CCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl)C#N |
Product Overview
2H-969 (CAS 400079-35-8), with molecular formula C24H18Cl2F6N8O3 and molecular weight 650.08 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-969
Property Insights of 2H-969
The XLogP value of 3.26438 indicates that 2H-969 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-969. Following Lipinski's Rule of Five, 2H-969 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-969?
The CAS number of 2H-969 is 400079-35-8.
What is the molecular formula of 2H-969?
The molecular formula of 2H-969 is C24H18Cl2F6N8O3.
What is the molecular weight of 2H-969?
The molecular weight of 2H-969 is 650.08 g/mol.
Where can I buy 2H-969?
You can request a quote for 2H-969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-969?
Yes, KEHONG BIO provides custom synthesis services for 2H-969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.