Imerubrine
TL;DR: Imerubrine (CAS 58189-33-6) is a chemical compound with molecular formula C20H17NO5 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,14,15,16-tetramethoxy-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: Imerubrine, IMIDODIPHOSPHOROUS TETRAIODIDE, 10H-Dibenzo(de,h)quinolin-10-one, 4,5,6,11-tetramethoxy-, 4,5,6,9-Tetramethoxy-10H-azuleno[1,2,3-ij]isoquinolin-10-one, 5,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2,4,7,9,11,13(17),14-octaen-6-one
| Molecular Formula | C20H17NO5 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 3.2768 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1107 |
| Heavy Atoms | 26 |
| Complexity | 1107.5675 |
Chemical Identifiers
| CAS Number | 58189-33-6 |
|---|---|
| SMILES | COC1=CC=C2C(=CC1=O)C3=NC=CC4=C3C2=C(C(=C4OC)OC)OC |
Product Overview
Imerubrine (CAS 58189-33-6), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: 5,14,15,16-tetramethoxy-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 Imerubrine
Property Insights of Imerubrine
The XLogP value of 3.2768 indicates that Imerubrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Imerubrine. Following Lipinski's Rule of Five, Imerubrine has 0 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 Imerubrine?
The CAS number of Imerubrine is 58189-33-6.
What is the molecular formula of Imerubrine?
The molecular formula of Imerubrine is C20H17NO5.
What is the molecular weight of Imerubrine?
The molecular weight of Imerubrine is 351.11 g/mol.
Where can I buy Imerubrine?
You can request a quote for Imerubrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imerubrine?
Yes, KEHONG BIO provides custom synthesis services for Imerubrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.