2H-917
TL;DR: 2H-917 (CAS 338399-26-1) is a chemical compound with molecular formula C19H12ClF4N5O2 and molecular weight 453.06 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-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2H-917, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile, 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(4-fluorobenzyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C19H12ClF4N5O2 |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 3.03578 |
| Topological Polar Surface Area | 83.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.06155 |
| Heavy Atoms | 31 |
| Complexity | 1293.1112 |
Chemical Identifiers
| CAS Number | 338399-26-1 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C#N |
Product Overview
2H-917 (CAS 338399-26-1), with molecular formula C19H12ClF4N5O2 and molecular weight 453.06 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-917
Property Insights of 2H-917
The XLogP value of 3.03578 indicates that 2H-917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-917. Following Lipinski's Rule of Five, 2H-917 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-917?
The CAS number of 2H-917 is 338399-26-1.
What is the molecular formula of 2H-917?
The molecular formula of 2H-917 is C19H12ClF4N5O2.
What is the molecular weight of 2H-917?
The molecular weight of 2H-917 is 453.06 g/mol.
Where can I buy 2H-917?
You can request a quote for 2H-917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-917?
Yes, KEHONG BIO provides custom synthesis services for 2H-917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.