2H-961
TL;DR: 2H-961 (CAS 338399-62-5) is a chemical compound with molecular formula C22H20ClF3N4O5 and molecular weight 512.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione
Also Known As: 2H-961, 5-acetyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-[2-(4-methoxyphenoxy)ethyl]-2,4(1H,3H)-pyrimidinedione, 5-acetyl-1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione, 5-acetyl-1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-[2-(4-methoxyphenoxy)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C22H20ClF3N4O5 |
|---|---|
| Molecular Weight | 512.11 g/mol |
| LogP | 3.2669 |
| Topological Polar Surface Area | 95.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 512.1074 |
| Heavy Atoms | 35 |
| Complexity | 1353.1678 |
Chemical Identifiers
| CAS Number | 338399-62-5 |
|---|---|
| SMILES | CC(=O)C1=CN(C(=O)N(C1=O)CCOC2=CC=C(C=C2)OC)N(C)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2H-961 (CAS 338399-62-5), with molecular formula C22H20ClF3N4O5 and molecular weight 512.11 g/mol. IUPAC: 5-acetyl-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-[2-(4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione.
Chemical Property Profile of 2H-961
Property Insights of 2H-961
The XLogP value of 3.2669 indicates that 2H-961 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-961. Following Lipinski's Rule of Five, 2H-961 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-961?
The CAS number of 2H-961 is 338399-62-5.
What is the molecular formula of 2H-961?
The molecular formula of 2H-961 is C22H20ClF3N4O5.
What is the molecular weight of 2H-961?
The molecular weight of 2H-961 is 512.11 g/mol.
Where can I buy 2H-961?
You can request a quote for 2H-961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-961?
Yes, KEHONG BIO provides custom synthesis services for 2H-961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.