Grandirubrine
TL;DR: Grandirubrine (CAS 74631-22-4) is a chemical compound with molecular formula C19H15NO5 and molecular weight 337.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one
Also Known As: Grandirubrine, N,N-dichloro-2,3,5,6-tetrafluoro-4-methylaniline, 10-Hydroxy-4,5,6-trimethoxy-9H-azuleno[1,2,3-ij]isoquinolin-9-one, 10-Hydroxy-4,5,6-trimethoxy-9H-azuleno[1,2,3-ij]isoquinolin-9-one #, 4,5,6-Trimethoxy-10-hydroxy-9H-azuleno[1,2,3-ij]isoquinoline-9-one
| Molecular Formula | C19H15NO5 |
|---|---|
| Molecular Weight | 337.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.09503 |
| Heavy Atoms | 25 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 74631-22-4 |
|---|---|
| SMILES | COC1=C(C(=C2C3=CC=C(C(=O)C=C3C4=NC=CC1=C24)O)OC)OC |
| InChIKey | SKNSHDGCCINVFT-UHFFFAOYSA-N |
Product Overview
Grandirubrine (CAS 74631-22-4), with molecular formula C19H15NO5 and molecular weight 337.10 g/mol. IUPAC: 5-hydroxy-14,15,16-trimethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one.
Chemical Property Profile of Grandirubrine
Property Insights of Grandirubrine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Grandirubrine. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Grandirubrine. Following Lipinski's Rule of Five, Grandirubrine 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 Grandirubrine?
The CAS number of Grandirubrine is 74631-22-4.
What is the molecular formula of Grandirubrine?
The molecular formula of Grandirubrine is C19H15NO5.
What is the molecular weight of Grandirubrine?
The molecular weight of Grandirubrine is 337.10 g/mol.
Where can I buy Grandirubrine?
You can request a quote for Grandirubrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Grandirubrine?
Yes, KEHONG BIO provides custom synthesis services for Grandirubrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.