Cyanobacterin
TL;DR: Cyanobacterin (CAS 80902-00-7) is a chemical compound with molecular formula C23H23ClO6 and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one
Also Known As: Cyanobacterin, 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one
| Molecular Formula | C23H23ClO6 |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.11832 |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 80902-00-7 |
|---|---|
| SMILES | CC(C)C1(C(C(=O)OC1=CC2=CC=C(C=C2)OC)CC3=CC4=C(C(=C3)Cl)OCO4)O |
| InChIKey | YYPUQBCQRSMSKU-UHFFFAOYSA-N |
Product Overview
Cyanobacterin (CAS 80902-00-7), with molecular formula C23H23ClO6 and molecular weight 430.12 g/mol. IUPAC: 3-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-4-hydroxy-5-[(4-methoxyphenyl)methylidene]-4-propan-2-yloxolan-2-one.
Chemical Property Profile of Cyanobacterin
Property Insights of Cyanobacterin
The XLogP value of 4.5 indicates that Cyanobacterin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanobacterin. Following Lipinski's Rule of Five, Cyanobacterin 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 Cyanobacterin?
The CAS number of Cyanobacterin is 80902-00-7.
What is the molecular formula of Cyanobacterin?
The molecular formula of Cyanobacterin is C23H23ClO6.
What is the molecular weight of Cyanobacterin?
The molecular weight of Cyanobacterin is 430.12 g/mol.
Where can I buy Cyanobacterin?
You can request a quote for Cyanobacterin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanobacterin?
Yes, KEHONG BIO provides custom synthesis services for Cyanobacterin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.