2E-124S
TL;DR: 2E-124S (CAS 477872-96-1) is a chemical compound with molecular formula C21H16F3N5O and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-yl-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
Also Known As: 2E-124S, 4-morpholino-2-(2-pyridinyl)-6-[3-(trifluoromethyl)phenyl]-5-pyrimidinecarbonitrile, 4-morpholin-4-yl-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile, 4-(morpholin-4-yl)-2-(pyridin-2-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile
| Molecular Formula | C21H16F3N5O |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.93268 |
| Topological Polar Surface Area | 74.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.1307 |
| Heavy Atoms | 30 |
| Complexity | 1090.0314 |
Chemical Identifiers
| CAS Number | 477872-96-1 |
|---|---|
| SMILES | C1COCCN1C2=NC(=NC(=C2C#N)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=N4 |
Product Overview
2E-124S (CAS 477872-96-1), with molecular formula C21H16F3N5O and molecular weight 411.13 g/mol. IUPAC: 4-morpholin-4-yl-2-pyridin-2-yl-6-[3-(trifluoromethyl)phenyl]pyrimidine-5-carbonitrile.
Chemical Property Profile of 2E-124S
Property Insights of 2E-124S
The XLogP value of 3.93268 indicates that 2E-124S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2E-124S. Following Lipinski's Rule of Five, 2E-124S has 0 hydrogen bond donor(s) and 6 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 2E-124S?
The CAS number of 2E-124S is 477872-96-1.
What is the molecular formula of 2E-124S?
The molecular formula of 2E-124S is C21H16F3N5O.
What is the molecular weight of 2E-124S?
The molecular weight of 2E-124S is 411.13 g/mol.
Where can I buy 2E-124S?
You can request a quote for 2E-124S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2E-124S?
Yes, KEHONG BIO provides custom synthesis services for 2E-124S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.