2H-942
TL;DR: 2H-942 (CAS 338399-46-5) is a chemical compound with molecular formula C21H14ClF6N5O3 and molecular weight 533.07 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]-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrimidine-5-carbonitrile
Also Known As: 2H-942, 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-2,4-dioxo-3-{2-[3-(trifluoromethyl)phenoxy]ethyl}-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrimidine-5-carbonitrile, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-2,4-dioxo-3-{2-[3-(trifluoromethyl)phenoxy]ethyl}-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C21H14ClF6N5O3 |
|---|---|
| Molecular Weight | 533.07 g/mol |
| LogP | 3.94618 |
| Topological Polar Surface Area | 93.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.0689 |
| Heavy Atoms | 36 |
| Complexity | 1442.1564 |
Chemical Identifiers
| CAS Number | 338399-46-5 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C=C(C(=O)N(C2=O)CCOC3=CC=CC(=C3)C(F)(F)F)C#N |
Product Overview
2H-942 (CAS 338399-46-5), with molecular formula C21H14ClF6N5O3 and molecular weight 533.07 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-2,4-dioxo-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrimidine-5-carbonitrile.
Chemical Property Profile of 2H-942
Property Insights of 2H-942
The XLogP value of 3.94618 indicates that 2H-942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-942. Following Lipinski's Rule of Five, 2H-942 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-942?
The CAS number of 2H-942 is 338399-46-5.
What is the molecular formula of 2H-942?
The molecular formula of 2H-942 is C21H14ClF6N5O3.
What is the molecular weight of 2H-942?
The molecular weight of 2H-942 is 533.07 g/mol.
Where can I buy 2H-942?
You can request a quote for 2H-942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-942?
Yes, KEHONG BIO provides custom synthesis services for 2H-942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.