Isoimerubrine
TL;DR: Isoimerubrine (CAS 74684-11-0) 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.
6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one
Also Known As: Isoimerubrine, 4,5,6,10-Tetramethoxy-9H-azuleno[1,2,3-ij]isoquinolin-9-one, 6,14,15,16-tetramethoxy-10-azatetracyclo(7.7.1.02,8.013,17)heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one, 6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one, 6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),2(8),3,6,9,11,13,15-octaen-5-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 | 74684-11-0 |
|---|---|
| SMILES | COC1=CC2=C(C=CC1=O)C3=C(C(=C(C4=C3C2=NC=C4)OC)OC)OC |
Product Overview
Isoimerubrine (CAS 74684-11-0), with molecular formula C20H17NO5 and molecular weight 351.11 g/mol. IUPAC: 6,14,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,8.013,17]heptadeca-1(16),2(8),3,6,9,11,13(17),14-octaen-5-one.
Chemical Property Profile of Isoimerubrine
Property Insights of Isoimerubrine
The XLogP value of 3.2768 indicates that Isoimerubrine 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 Isoimerubrine. Following Lipinski's Rule of Five, Isoimerubrine 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 Isoimerubrine?
The CAS number of Isoimerubrine is 74684-11-0.
What is the molecular formula of Isoimerubrine?
The molecular formula of Isoimerubrine is C20H17NO5.
What is the molecular weight of Isoimerubrine?
The molecular weight of Isoimerubrine is 351.11 g/mol.
Where can I buy Isoimerubrine?
You can request a quote for Isoimerubrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoimerubrine?
Yes, KEHONG BIO provides custom synthesis services for Isoimerubrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.