9H-020
TL;DR: 9H-020 (CAS 339106-28-4) is a chemical compound with molecular formula C19H14F3N3O5 and molecular weight 421.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-oxoisoquinoline-4-carboxylate
Also Known As: 9H-020, methyl 2-[methyl-2-nitro-4-(trifluoromethyl)anilino]-1-oxo-1,2-dihydro-4-isoquinolinecarboxylate, methyl 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-oxoisoquinoline-4-carboxylate, methyl 2-{methyl[2-nitro-4-(trifluoromethyl)phenyl]amino}-1-oxo-1,2-dihydroisoquinoline-4-carboxylate, Methyl 2-[methyl-[2-nitro-4-(trifluoromethyl)phenyl]amino]-1-oxo-isoquinoline-4-carboxylate
| Molecular Formula | C19H14F3N3O5 |
|---|---|
| Molecular Weight | 421.09 g/mol |
| LogP | 3.6146 |
| Topological Polar Surface Area | 94.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.08856 |
| Heavy Atoms | 30 |
| Complexity | 1220.2411 |
Chemical Identifiers
| CAS Number | 339106-28-4 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-])N2C=C(C3=CC=CC=C3C2=O)C(=O)OC |
Product Overview
9H-020 (CAS 339106-28-4), with molecular formula C19H14F3N3O5 and molecular weight 421.09 g/mol. IUPAC: methyl 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]-1-oxoisoquinoline-4-carboxylate.
Chemical Property Profile of 9H-020
Property Insights of 9H-020
The XLogP value of 3.6146 indicates that 9H-020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-020. Following Lipinski's Rule of Five, 9H-020 has 0 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 9H-020?
The CAS number of 9H-020 is 339106-28-4.
What is the molecular formula of 9H-020?
The molecular formula of 9H-020 is C19H14F3N3O5.
What is the molecular weight of 9H-020?
The molecular weight of 9H-020 is 421.09 g/mol.
Where can I buy 9H-020?
You can request a quote for 9H-020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-020?
Yes, KEHONG BIO provides custom synthesis services for 9H-020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.