11K-918
TL;DR: 11K-918 (CAS 303148-40-5) is a chemical compound with molecular formula C22H18ClF3N6O2 and molecular weight 490.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-[2-(4-methoxyphenyl)iminoethyl]-4-oxopyrimidine-5-carbonitrile
Also Known As: 11K-918, 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-6-{2-[(4-methoxyphenyl)imino]ethyl}-4-oxo-1,4-dihydro-5-pyrimidinecarbonitrile, 1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-6-[2-(4-methoxyphenyl)iminoethyl]-4-oxopyrimidine-5-carbonitrile, 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-6-[(2E)-2-[(4-methoxyphenyl)imino]ethyl]-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, 1-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-6-(2-[(4-METHOXYPHENYL)IMINO]ETHYL)-4-OXO-1,4-DIHYDRO-5-PYRIMIDINECARBONITRILE
| Molecular Formula | C22H18ClF3N6O2 |
|---|---|
| Molecular Weight | 490.11 g/mol |
| LogP | 4.24788 |
| Topological Polar Surface Area | 105.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.1132 |
| Heavy Atoms | 34 |
| Complexity | 1283.7681 |
Chemical Identifiers
| CAS Number | 303148-40-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=CCC2=C(C(=O)N=CN2CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)C#N |
Product Overview
11K-918 (CAS 303148-40-5), with molecular formula C22H18ClF3N6O2 and molecular weight 490.11 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-6-[2-(4-methoxyphenyl)iminoethyl]-4-oxopyrimidine-5-carbonitrile.
Chemical Property Profile of 11K-918
Property Insights of 11K-918
The XLogP value of 4.24788 indicates that 11K-918 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 11K-918. Following Lipinski's Rule of Five, 11K-918 has 1 hydrogen bond donor(s) and 7 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 11K-918?
The CAS number of 11K-918 is 303148-40-5.
What is the molecular formula of 11K-918?
The molecular formula of 11K-918 is C22H18ClF3N6O2.
What is the molecular weight of 11K-918?
The molecular weight of 11K-918 is 490.11 g/mol.
Where can I buy 11K-918?
You can request a quote for 11K-918 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11K-918?
Yes, KEHONG BIO provides custom synthesis services for 11K-918 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.