2H-944
TL;DR: 2H-944 (CAS 338399-48-7) is a chemical compound with molecular formula C13H9ClF3N5O2 and molecular weight 359.04 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-methyl-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2H-944, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-methyl-2,4-dioxopyrimidine-5-carbonitrile, 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C13H9ClF3N5O2 |
|---|---|
| Molecular Weight | 359.04 g/mol |
| LogP | 1.38538 |
| Topological Polar Surface Area | 83.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.03967 |
| Heavy Atoms | 24 |
| Complexity | 958.0356 |
Chemical Identifiers
| CAS Number | 338399-48-7 |
|---|---|
| SMILES | CN1C(=O)C(=CN(C1=O)N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
2H-944 (CAS 338399-48-7), with molecular formula C13H9ClF3N5O2 and molecular weight 359.04 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methyl-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-944
Property Insights of 2H-944
The XLogP value of 1.38538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-944. The TPSA of 83.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-944. Following Lipinski's Rule of Five, 2H-944 has 0 hydrogen bond donor(s) and 5 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 2H-944?
The CAS number of 2H-944 is 338399-48-7.
What is the molecular formula of 2H-944?
The molecular formula of 2H-944 is C13H9ClF3N5O2.
What is the molecular weight of 2H-944?
The molecular weight of 2H-944 is 359.04 g/mol.
Where can I buy 2H-944?
You can request a quote for 2H-944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-944?
Yes, KEHONG BIO provides custom synthesis services for 2H-944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.