RefChem:380933
TL;DR: RefChem:380933 (CAS 63080-58-0) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,2'-cyclohexane]-1'-one
Also Known As: Spiro(7H-benzo(de)quinoline-7,1'-cyclohexan)-2'-one, 1,2,3,8,9,9a-hexahydro-5,6-dimethoxy-1-methyl-, 5,6-Dimethoxy-1-methyl-2,3,7,8,9,9a-hexahydrospiro(benzo(de)chinolin-7,1'-cyclohexan-2'-one), 5,6-Dimethoxy-1-methyl-1,2,3,8,9,9a-hexahydrospiro[benzo[de]quinoline-7,1'-cyclohexan]-2'-one, 5,6-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,2'-cyclohexane]-1'-one, BRN 1597187
| Molecular Formula | C20H27NO3 |
|---|---|
| Molecular Weight | 329.20 g/mol |
| LogP | 3.4075 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 329.1991 |
| Heavy Atoms | 24 |
| Complexity | 683.9518 |
Chemical Identifiers
| CAS Number | 63080-58-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C3=C2C1CCC34CCCCC4=O)OC)OC |
Product Overview
RefChem:380933 (CAS 63080-58-0), with molecular formula C20H27NO3 and molecular weight 329.20 g/mol. IUPAC: 5,6-dimethoxy-1-methylspiro[3,8,9,9a-tetrahydro-2H-benzo[de]quinoline-7,2'-cyclohexane]-1'-one.
Chemical Property Profile of RefChem:380933
Property Insights of RefChem:380933
The XLogP value of 3.4075 indicates that RefChem:380933 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, RefChem:380933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:380933 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 RefChem:380933?
The CAS number of RefChem:380933 is 63080-58-0.
What is the molecular formula of RefChem:380933?
The molecular formula of RefChem:380933 is C20H27NO3.
What is the molecular weight of RefChem:380933?
The molecular weight of RefChem:380933 is 329.20 g/mol.
Where can I buy RefChem:380933?
You can request a quote for RefChem:380933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:380933?
Yes, KEHONG BIO provides custom synthesis services for RefChem:380933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.