Rurrebanine
TL;DR: Rurrebanine (CAS 112494-68-5) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,7S)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol
Also Known As: Rurrebanine, (6aS,7S)-1,2,3-Trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol, RefChem:379364
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 60.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 112494-68-5 |
|---|---|
| SMILES | COC1=C(C(=C2C3=CC=CC=C3[C@@H]([C@@H]4C2=C1CCN4)O)OC)OC |
| InChIKey | IYPWUMJEWDGLKQ-HOTGVXAUSA-N |
Product Overview
Rurrebanine (CAS 112494-68-5), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: (6aS,7S)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol.
Chemical Property Profile of Rurrebanine
Property Insights of Rurrebanine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rurrebanine. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rurrebanine. Following Lipinski's Rule of Five, Rurrebanine has 2 hydrogen bond donor(s) and 5 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 Rurrebanine?
The CAS number of Rurrebanine is 112494-68-5.
What is the molecular formula of Rurrebanine?
The molecular formula of Rurrebanine is C19H21NO4.
What is the molecular weight of Rurrebanine?
The molecular weight of Rurrebanine is 327.15 g/mol.
Where can I buy Rurrebanine?
You can request a quote for Rurrebanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rurrebanine?
Yes, KEHONG BIO provides custom synthesis services for Rurrebanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.