9H-007
TL;DR: 9H-007 (CAS 339106-06-8) is a chemical compound with molecular formula C23H19FN2O5S and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[benzenesulfonyl(nitro)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
Also Known As: 9H-007, (4-fluorophenyl)[1-[nitro(phenylsulfonyl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl]methanone, [1-[benzenesulfonyl(nitro)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone, 1-[(benzenesulfonyl)(nitro)methyl]-2-(4-fluorobenzoyl)-1,2,3,4-tetrahydroisoquinoline, [1-(benzenesulfonyl-nitro-methyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
| Molecular Formula | C23H19FN2O5S |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 3.642 |
| Topological Polar Surface Area | 97.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.09988 |
| Heavy Atoms | 32 |
| Complexity | 1263.059 |
Chemical Identifiers
| CAS Number | 339106-06-8 |
|---|---|
| SMILES | C1CN(C(C2=CC=CC=C21)C([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F |
Product Overview
9H-007 (CAS 339106-06-8), with molecular formula C23H19FN2O5S and molecular weight 454.10 g/mol. IUPAC: [1-[benzenesulfonyl(nitro)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone.
Chemical Property Profile of 9H-007
Property Insights of 9H-007
The XLogP value of 3.642 indicates that 9H-007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-007. Following Lipinski's Rule of Five, 9H-007 has 0 hydrogen bond donor(s) and 5 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-007?
The CAS number of 9H-007 is 339106-06-8.
What is the molecular formula of 9H-007?
The molecular formula of 9H-007 is C23H19FN2O5S.
What is the molecular weight of 9H-007?
The molecular weight of 9H-007 is 454.10 g/mol.
Where can I buy 9H-007?
You can request a quote for 9H-007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-007?
Yes, KEHONG BIO provides custom synthesis services for 9H-007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.