2H-943
TL;DR: 2H-943 (CAS 338399-47-6) is a chemical compound with molecular formula C16H13ClF3N5O4 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-5-cyano-2,6-dioxopyrimidin-1-yl]acetate
Also Known As: 2H-943, ethyl 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-5-cyano-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl]acetate, ethyl 2-[3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-5-cyano-2,6-dioxopyrimidin-1-yl]acetate, ethyl 2-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-cyano-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetate, ethyl 2-(3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-5-cyano-2,6-dioxopyrimidin-1-yl)acetate
| Molecular Formula | C16H13ClF3N5O4 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 1.41148 |
| Topological Polar Surface Area | 110.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.06082 |
| Heavy Atoms | 29 |
| Complexity | 1103.6902 |
Chemical Identifiers
| CAS Number | 338399-47-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C(=CN(C1=O)N(C)C2=C(C=C(C=N2)C(F)(F)F)Cl)C#N |
Product Overview
2H-943 (CAS 338399-47-6), with molecular formula C16H13ClF3N5O4 and molecular weight 431.06 g/mol. IUPAC: ethyl 2-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-5-cyano-2,6-dioxopyrimidin-1-yl]acetate.
Chemical Property Profile of 2H-943
Property Insights of 2H-943
The XLogP value of 1.41148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-943. The TPSA of 110.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-943. Following Lipinski's Rule of Five, 2H-943 has 0 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 2H-943?
The CAS number of 2H-943 is 338399-47-6.
What is the molecular formula of 2H-943?
The molecular formula of 2H-943 is C16H13ClF3N5O4.
What is the molecular weight of 2H-943?
The molecular weight of 2H-943 is 431.06 g/mol.
Where can I buy 2H-943?
You can request a quote for 2H-943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-943?
Yes, KEHONG BIO provides custom synthesis services for 2H-943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.