麦角硫因
TL;DR: 麦角硫因 (CAS 497-30-3) is a chemical compound with molecular formula C9H15N3O2S and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
麦角硫因
(2R)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate
Also Known As: Thioneine, Sympectothion, Thiasine, Thiotane, D-Ergothioneine
| Molecular Formula | C9H15N3O2S |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | -0.56051 |
| Topological Polar Surface Area | 71.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0885 |
| Heavy Atoms | 15 |
| Complexity | 401.98022 |
Chemical Identifiers
| CAS Number | 497-30-3 |
|---|---|
| SMILES | C[N+](C)(C)[C@H](CC1=CNC(=S)N1)C(=O)[O-] |
Product Overview
麦角硫因 (CAS 497-30-3), with molecular formula C9H15N3O2S and molecular weight 229.09 g/mol. IUPAC: (2R)-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-(trimethylazaniumyl)propanoate.
Chemical Property Profile of 麦角硫因
Property Insights of 麦角硫因
The XLogP value of -0.56051 indicates that 麦角硫因 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 麦角硫因. Following Lipinski's Rule of Five, 麦角硫因 has 2 hydrogen bond donor(s) and 3 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 麦角硫因?
The CAS number of 麦角硫因 is 497-30-3.
What is the molecular formula of 麦角硫因?
The molecular formula of 麦角硫因 is C9H15N3O2S.
What is the molecular weight of 麦角硫因?
The molecular weight of 麦角硫因 is 229.09 g/mol.
Where can I buy 麦角硫因?
You can request a quote for 麦角硫因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 麦角硫因?
Yes, KEHONG BIO provides custom synthesis services for 麦角硫因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.