Benzosimuline
TL;DR: Benzosimuline (CAS 198336-58-2) is a chemical compound with molecular formula C20H19NO2 and molecular weight 305.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one
Also Known As: Benzosimuline, 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one, 6,6,9,12-tetramethyl-6H,11H,12H-isochromeno[4,3-c]quinolin-11-one, 6,6,9,12-Tetramethyl-6H-[2]benzopyrano[4,3-c]quinolin-11(12H)-one, 6,12-Dihydro-6,6,9,12-tetramethyl-11H-[2]benzopyrano[4,3-c]quinolin-11-one
| Molecular Formula | C20H19NO2 |
|---|---|
| Molecular Weight | 305.14 g/mol |
| LogP | 4.14142 |
| Topological Polar Surface Area | 31.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.14157 |
| Heavy Atoms | 23 |
| Complexity | 1012.0608 |
Chemical Identifiers
| CAS Number | 198336-58-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(OC3=C2C(=O)N(C4=CC=CC=C43)C)(C)C |
Product Overview
Benzosimuline (CAS 198336-58-2), with molecular formula C20H19NO2 and molecular weight 305.14 g/mol. IUPAC: 6,6,9,12-tetramethylisochromeno[4,3-c]quinolin-11-one.
Chemical Property Profile of Benzosimuline
Property Insights of Benzosimuline
The XLogP value of 4.14142 indicates that Benzosimuline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.23 Ų, Benzosimuline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzosimuline has 0 hydrogen bond donor(s) and 2 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 Benzosimuline?
The CAS number of Benzosimuline is 198336-58-2.
What is the molecular formula of Benzosimuline?
The molecular formula of Benzosimuline is C20H19NO2.
What is the molecular weight of Benzosimuline?
The molecular weight of Benzosimuline is 305.14 g/mol.
Where can I buy Benzosimuline?
You can request a quote for Benzosimuline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzosimuline?
Yes, KEHONG BIO provides custom synthesis services for Benzosimuline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.