9M-916
TL;DR: 9M-916 (CAS 400736-63-2) is a chemical compound with molecular formula C21H10F4N4O2 and molecular weight 426.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)-3,8-dioxo-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-c]pyridazine-4-carbonitrile
Also Known As: 9M-916, 2-(4-fluorophenyl)-3,8-dioxo-7-[4-(trifluoromethyl)phenyl]-2,3,7,8-tetrahydropyrido[3,4-c]pyridazine-4-carbonitrile, 2-(4-fluorophenyl)-3,8-dioxo-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-c]pyridazine-4-carbonitrile, 2-(4-fluorophenyl)-3,8-dioxo-7-[4-(trifluoromethyl)phenyl]-2H,3H,7H,8H-pyrido[3,4-c]pyridazine-4-carbonitrile
| Molecular Formula | C21H10F4N4O2 |
|---|---|
| Molecular Weight | 426.07 g/mol |
| LogP | 3.56618 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.07397 |
| Heavy Atoms | 31 |
| Complexity | 1462.2502 |
Chemical Identifiers
| CAS Number | 400736-63-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)N2C=CC3=C(C(=O)N(N=C3C2=O)C4=CC=C(C=C4)F)C#N |
Product Overview
9M-916 (CAS 400736-63-2), with molecular formula C21H10F4N4O2 and molecular weight 426.07 g/mol. IUPAC: 2-(4-fluorophenyl)-3,8-dioxo-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-c]pyridazine-4-carbonitrile.
Chemical Property Profile of 9M-916
Property Insights of 9M-916
The XLogP value of 3.56618 indicates that 9M-916 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 9M-916. Following Lipinski's Rule of Five, 9M-916 has 0 hydrogen bond donor(s) and 4 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 9M-916?
The CAS number of 9M-916 is 400736-63-2.
What is the molecular formula of 9M-916?
The molecular formula of 9M-916 is C21H10F4N4O2.
What is the molecular weight of 9M-916?
The molecular weight of 9M-916 is 426.07 g/mol.
Where can I buy 9M-916?
You can request a quote for 9M-916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9M-916?
Yes, KEHONG BIO provides custom synthesis services for 9M-916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.