2H-912
TL;DR: 2H-912 (CAS 338399-22-7) is a chemical compound with molecular formula C19H11Cl2F3N4O2 and molecular weight 454.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidine-5-carbonitrile
Also Known As: 2H-912, 1-(4-chlorobenzyl)-3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-[(4-chlorophenyl)methyl]-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]-2,4-dioxopyrimidine-5-carbonitrile, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1-[(4-chlorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C19H11Cl2F3N4O2 |
|---|---|
| Molecular Weight | 454.02 g/mol |
| LogP | 3.69888 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.02112 |
| Heavy Atoms | 30 |
| Complexity | 1259.232 |
Chemical Identifiers
| CAS Number | 338399-22-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=C(C(=O)N(C2=O)CC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N)Cl |
Product Overview
2H-912 (CAS 338399-22-7), with molecular formula C19H11Cl2F3N4O2 and molecular weight 454.02 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,4-dioxopyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-912
Property Insights of 2H-912
The XLogP value of 3.69888 indicates that 2H-912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-912. Following Lipinski's Rule of Five, 2H-912 has 0 hydrogen bond donor(s) and 4 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-912?
The CAS number of 2H-912 is 338399-22-7.
What is the molecular formula of 2H-912?
The molecular formula of 2H-912 is C19H11Cl2F3N4O2.
What is the molecular weight of 2H-912?
The molecular weight of 2H-912 is 454.02 g/mol.
Where can I buy 2H-912?
You can request a quote for 2H-912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-912?
Yes, KEHONG BIO provides custom synthesis services for 2H-912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.