8L-946
TL;DR: 8L-946 (CAS 321998-81-6) is a chemical compound with molecular formula C18H16ClF3N4O3 and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decane-8-carbonitrile
Also Known As: 8L-946, 4-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]decane-8-carbonitrile, 4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.0^{2,6}]decane-8-carbonitrile, 4-[2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decane-8-carbonitrile
| Molecular Formula | C18H16ClF3N4O3 |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 1.91728 |
| Topological Polar Surface Area | 106.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.0863 |
| Heavy Atoms | 29 |
| Complexity | 918.5929 |
Chemical Identifiers
| CAS Number | 321998-81-6 |
|---|---|
| SMILES | C1C2C(C(C1C3C2C(=O)N(C3=O)CCNC4=C(C=C(C=N4)C(F)(F)F)Cl)O)C#N |
Product Overview
8L-946 (CAS 321998-81-6), with molecular formula C18H16ClF3N4O3 and molecular weight 428.09 g/mol. IUPAC: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decane-8-carbonitrile.
Chemical Property Profile of 8L-946
Property Insights of 8L-946
The XLogP value of 1.91728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8L-946. The TPSA of 106.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 8L-946. Following Lipinski's Rule of Five, 8L-946 has 2 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 8L-946?
The CAS number of 8L-946 is 321998-81-6.
What is the molecular formula of 8L-946?
The molecular formula of 8L-946 is C18H16ClF3N4O3.
What is the molecular weight of 8L-946?
The molecular weight of 8L-946 is 428.09 g/mol.
Where can I buy 8L-946?
You can request a quote for 8L-946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8L-946?
Yes, KEHONG BIO provides custom synthesis services for 8L-946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.