2H-960
TL;DR: 2H-960 (CAS 338399-61-4) is a chemical compound with molecular formula C19H10Cl2F6N6O2 and molecular weight 538.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2H-960, 3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-2,4-dioxopyrimidine-5-carbonitrile, 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-2,4-dioxopyrimidine-5-carbonitrile
| Molecular Formula | C19H10Cl2F6N6O2 |
|---|---|
| Molecular Weight | 538.01 g/mol |
| LogP | 3.96388 |
| Topological Polar Surface Area | 96.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 538.01465 |
| Heavy Atoms | 35 |
| Complexity | 1458.6334 |
Chemical Identifiers
| CAS Number | 338399-61-4 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C(=O)N(C2=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N |
Product Overview
2H-960 (CAS 338399-61-4), with molecular formula C19H10Cl2F6N6O2 and molecular weight 538.01 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-960
Property Insights of 2H-960
The XLogP value of 3.96388 indicates that 2H-960 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-960. Following Lipinski's Rule of Five, 2H-960 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-960?
The CAS number of 2H-960 is 338399-61-4.
What is the molecular formula of 2H-960?
The molecular formula of 2H-960 is C19H10Cl2F6N6O2.
What is the molecular weight of 2H-960?
The molecular weight of 2H-960 is 538.01 g/mol.
Where can I buy 2H-960?
You can request a quote for 2H-960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-960?
Yes, KEHONG BIO provides custom synthesis services for 2H-960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.