Parfumine
TL;DR: Parfumine (CAS 28230-70-8) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one
Also Known As: Parfumine, d-Parfumine, (+)-Parfumine, ( )-Parfumine, (7s)-7'-hydroxy-6'-methoxy-2'-methyl-3',4'-dihydro-2'h-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinolin]-8(6h)-one
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 28230-70-8 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@]13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC |
| InChIKey | AHNUBWYOIHCGFN-FQEVSTJZSA-N |
Product Overview
Parfumine (CAS 28230-70-8), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: (1S)-7-hydroxy-6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6H-cyclopenta[g][1,3]benzodioxole]-8'-one.
Chemical Property Profile of Parfumine
Property Insights of Parfumine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Parfumine. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Parfumine. Following Lipinski's Rule of Five, Parfumine has 1 hydrogen bond donor(s) and 6 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 Parfumine?
The CAS number of Parfumine is 28230-70-8.
What is the molecular formula of Parfumine?
The molecular formula of Parfumine is C20H19NO5.
What is the molecular weight of Parfumine?
The molecular weight of Parfumine is 353.13 g/mol.
Where can I buy Parfumine?
You can request a quote for Parfumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Parfumine?
Yes, KEHONG BIO provides custom synthesis services for Parfumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.