Rurrebanidine
TL;DR: Rurrebanidine (CAS 112494-67-4) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,7S)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,7-diol
Also Known As: Rurrebanidine, 1,2-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,7-diol, (6aS,7S)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,7-diol, RefChem:379363
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 112494-67-4 |
|---|---|
| SMILES | COC1=C2C3=CC=CC=C3[C@@H]([C@@H]4C2=C(CCN4)C(=C1OC)O)O |
| InChIKey | JEMOVZHWZNLLFS-GJZGRUSLSA-N |
Product Overview
Rurrebanidine (CAS 112494-67-4), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: (6aS,7S)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,7-diol.
Chemical Property Profile of Rurrebanidine
Property Insights of Rurrebanidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rurrebanidine. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Rurrebanidine. Following Lipinski's Rule of Five, Rurrebanidine has 3 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 Rurrebanidine?
The CAS number of Rurrebanidine is 112494-67-4.
What is the molecular formula of Rurrebanidine?
The molecular formula of Rurrebanidine is C18H19NO4.
What is the molecular weight of Rurrebanidine?
The molecular weight of Rurrebanidine is 313.13 g/mol.
Where can I buy Rurrebanidine?
You can request a quote for Rurrebanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rurrebanidine?
Yes, KEHONG BIO provides custom synthesis services for Rurrebanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.