Izmirine
TL;DR: Izmirine (CAS 89117-94-2) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z,10E)-10-hydroxy-8-methoxy-17-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),2,7,10,15(19),20-hexaen-6-one
Also Known As: Izmirine, Benzo(e)-1,3-dioxolo(4,5-l)(2)benzazecin-12(5H)-one, 4,6,7,13-tetrahydro-9-hydroxy-10-methoxy-5-methyl-
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 3.0551 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 838.84845 |
Chemical Identifiers
| CAS Number | 89117-94-2 |
|---|---|
| SMILES | CC1OC2=C(O1)C3=C(/C=C\C4CC(=O)C=C(C4/C(=C\NC3)/O)OC)C=C2 |
Product Overview
Izmirine (CAS 89117-94-2), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: (2Z,10E)-10-hydroxy-8-methoxy-17-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),2,7,10,15(19),20-hexaen-6-one.
Chemical Property Profile of Izmirine
Property Insights of Izmirine
The XLogP value of 3.0551 indicates that Izmirine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.02 Ų falls within the moderate polarity range, balancing permeability and solubility for Izmirine. Following Lipinski's Rule of Five, Izmirine has 2 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 Izmirine?
The CAS number of Izmirine is 89117-94-2.
What is the molecular formula of Izmirine?
The molecular formula of Izmirine is C20H21NO5.
What is the molecular weight of Izmirine?
The molecular weight of Izmirine is 355.14 g/mol.
Where can I buy Izmirine?
You can request a quote for Izmirine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Izmirine?
Yes, KEHONG BIO provides custom synthesis services for Izmirine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.