4K-914
TL;DR: 4K-914 (CAS 339278-10-3) is a chemical compound with molecular formula C16H10ClF3N4O4 and molecular weight 414.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-nitroisoindole-1,3-dione
Also Known As: 4K-914, 2-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-4-nitro-1H-isoindole-1,3(2H)-dione, 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-4-nitroisoindole-1,3-dione, 2-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-4-nitro-isoindole-1,3-dione, 2-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-4-nitro-2,3-dihydro-1H-isoindole-1,3-dione
| Molecular Formula | C16H10ClF3N4O4 |
|---|---|
| Molecular Weight | 414.03 g/mol |
| LogP | 3.3701 |
| Topological Polar Surface Area | 105.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.03427 |
| Heavy Atoms | 28 |
| Complexity | 996.34 |
Chemical Identifiers
| CAS Number | 339278-10-3 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4K-914 (CAS 339278-10-3), with molecular formula C16H10ClF3N4O4 and molecular weight 414.03 g/mol. IUPAC: 2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-nitroisoindole-1,3-dione.
Chemical Property Profile of 4K-914
Property Insights of 4K-914
The XLogP value of 3.3701 indicates that 4K-914 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4K-914. Following Lipinski's Rule of Five, 4K-914 has 1 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 4K-914?
The CAS number of 4K-914 is 339278-10-3.
What is the molecular formula of 4K-914?
The molecular formula of 4K-914 is C16H10ClF3N4O4.
What is the molecular weight of 4K-914?
The molecular weight of 4K-914 is 414.03 g/mol.
Where can I buy 4K-914?
You can request a quote for 4K-914 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-914?
Yes, KEHONG BIO provides custom synthesis services for 4K-914 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.