田头菇素
TL;DR: 田头菇素 (CAS 544-44-5) is a chemical compound with molecular formula C8H5NO2 and molecular weight 147.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
田头菇素
8-hydroxyocta-2,4,6-triynamide
Also Known As: Agrocybin, acetamid, 8-hydroxyocta-2,4,6-triynamide, Essigsaeureamid, Azetamid
| Molecular Formula | C8H5NO2 |
|---|---|
| Molecular Weight | 147.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.03203 |
| Heavy Atoms | 11 |
| Complexity | 341.0 |
| Melting Point | 130 - 140 °C |
Chemical Identifiers
| CAS Number | 544-44-5 |
|---|---|
| SMILES | C(C#CC#CC#CC(=O)N)O |
| InChIKey | OXONWCQUZYDTNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
田头菇素 (CAS 544-44-5), with molecular formula C8H5NO2 and molecular weight 147.03 g/mol. IUPAC: 8-hydroxyocta-2,4,6-triynamide.
Chemical Property Profile of 田头菇素
Property Insights of 田头菇素
The XLogP value of -0.3 indicates that 田头菇素 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 田头菇素. Following Lipinski's Rule of Five, 田头菇素 has 2 hydrogen bond donor(s) and 2 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 田头菇素?
The CAS number of 田头菇素 is 544-44-5.
What is the molecular formula of 田头菇素?
The molecular formula of 田头菇素 is C8H5NO2.
What is the molecular weight of 田头菇素?
The molecular weight of 田头菇素 is 147.03 g/mol.
Where can I buy 田头菇素?
You can request a quote for 田头菇素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 田头菇素?
Yes, KEHONG BIO provides custom synthesis services for 田头菇素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.