RefChem:237727
TL;DR: RefChem:237727 (CAS 59001-98-8) is a chemical compound with molecular formula C28H31NO2 and molecular weight 413.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-diphenylethyl)-5,6-dimethoxy-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinoline
Also Known As: 1H-Cyclopent(h)isoquinoline, 2,3,4,7,8,9-hexahydro-5,6-dimethoxy-2-(2,2-diphenylethyl)-, 2-(2,2-diphenylethyl)-5,6-dimethoxy-2,3,4,7,8,9-hexahydro-1h-cyclopenta[h]isoquinoline, 2,3,4,7,8,9-Hexahydro-5,6-dimethoxy-2-(2,2-diphenylethyl)-1H-cyclopent(h)isoquinoline, 5,6-Dimethoxy-N-(2,2-diphenylethyl)cyclopentano(h)-1,2,3,4-tetrahydroisoquinoline, O(C)c1c(OC)c2CCCc2c3CN(CCc13)CC(c4ccccc4)c5ccccc5
| Molecular Formula | C28H31NO2 |
|---|---|
| Molecular Weight | 413.24 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.23547 |
| Heavy Atoms | 31 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 59001-98-8 |
|---|---|
| SMILES | COC1=C(C2=C(CN(CC2)CC(C3=CC=CC=C3)C4=CC=CC=C4)C5=C1CCC5)OC |
| InChIKey | ZMGIOYIMUHRSNR-UHFFFAOYSA-N |
Product Overview
RefChem:237727 (CAS 59001-98-8), with molecular formula C28H31NO2 and molecular weight 413.24 g/mol. IUPAC: 2-(2,2-diphenylethyl)-5,6-dimethoxy-1,3,4,7,8,9-hexahydrocyclopenta[h]isoquinoline.
Chemical Property Profile of RefChem:237727
Property Insights of RefChem:237727
The XLogP value of 6.0 indicates that RefChem:237727 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:237727 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:237727 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:237727?
The CAS number of RefChem:237727 is 59001-98-8.
What is the molecular formula of RefChem:237727?
The molecular formula of RefChem:237727 is C28H31NO2.
What is the molecular weight of RefChem:237727?
The molecular weight of RefChem:237727 is 413.24 g/mol.
Where can I buy RefChem:237727?
You can request a quote for RefChem:237727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:237727?
Yes, KEHONG BIO provides custom synthesis services for RefChem:237727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.