11L-901
TL;DR: 11L-901 (CAS 1005068-81-4) is a chemical compound with molecular formula C17H14ClF3N4O3 and molecular weight 414.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decane-8-carbonitrile
Also Known As: 11L-901, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]decane-8-carbonitrile, 4-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decane-8-carbonitrile, 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.0^{2,6}]decane-8-carbonitrile
| Molecular Formula | C17H14ClF3N4O3 |
|---|---|
| Molecular Weight | 414.07 g/mol |
| LogP | 1.85658 |
| Topological Polar Surface Area | 97.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.07065 |
| Heavy Atoms | 28 |
| Complexity | 917.88916 |
Chemical Identifiers
| CAS Number | 1005068-81-4 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C(=O)C3C4CC(C3C2=O)C(C4C#N)O |
Product Overview
11L-901 (CAS 1005068-81-4), with molecular formula C17H14ClF3N4O3 and molecular weight 414.07 g/mol. IUPAC: 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-9-hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decane-8-carbonitrile.
Chemical Property Profile of 11L-901
Property Insights of 11L-901
The XLogP value of 1.85658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11L-901. The TPSA of 97.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 11L-901. Following Lipinski's Rule of Five, 11L-901 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 11L-901?
The CAS number of 11L-901 is 1005068-81-4.
What is the molecular formula of 11L-901?
The molecular formula of 11L-901 is C17H14ClF3N4O3.
What is the molecular weight of 11L-901?
The molecular weight of 11L-901 is 414.07 g/mol.
Where can I buy 11L-901?
You can request a quote for 11L-901 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11L-901?
Yes, KEHONG BIO provides custom synthesis services for 11L-901 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.