RefChem:237712
TL;DR: RefChem:237712 (CAS 57612-17-6) is a chemical compound with molecular formula C28H31NO2 and molecular weight 413.23547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,2-diphenylethyl)-5,6-dimethoxy-1,2,4,7,8,9-hexahydrocyclopenta[f]isoquinoline
Also Known As: 1H-Cyclopent(f)isoquinoline, 2,3,4,7,8,9-hexahydro-5,6-dimethoxy-3-(2,2-diphenylethyl)-, 2,3,4,7,8,9-Hexahydro-5,6-dimethoxy-3-(2,2-diphenylethyl)-1H-cyclopent(f)isoquinoline, 7,8-Dimethoxy-N-(2,2-diphenylethyl)cyclopentano(f)-1,2,3,4-tetrahydroisoquinoline, O(C)c1c(OC)c2CCCc2c3CCN(Cc13)CC(c4ccccc4)c5ccccc5, 3-(2,2-diphenylethyl)-5,6-dimethoxy-2,3,4,7,8,9-hexahydro-1h-cyclopenta[f]isoquinoline
Technical Specifications
| Molecular Formula | C28H31NO2 |
| Molecular Weight | 413.23547 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.23547 Da |
| Heavy Atoms | 31 |
| Complexity | 537.0 |
| SMILES | COC1=C(C2=C(CCN(C2)CC(C3=CC=CC=C3)C4=CC=CC=C4)C5=C1CCC5)OC |
| InChIKey | RRWIQPOZTXOAIS-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:237712
Property Insights of RefChem:237712
The XLogP value of 6.0 indicates that RefChem:237712 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, RefChem:237712 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237712 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:237712?
The CAS number of RefChem:237712 is 57612-17-6.
What is the molecular formula of RefChem:237712?
The molecular formula of RefChem:237712 is C28H31NO2.
What is the molecular weight of RefChem:237712?
The molecular weight of RefChem:237712 is 413.23547 g/mol.
Where can I buy RefChem:237712?
You can request a quote for RefChem:237712 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:237712?
Yes, CoreyChem provides custom synthesis services for RefChem:237712 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.