蟾蜍特尼定
TL;DR: 蟾蜍特尼定 (CAS 487-91-2) is a chemical compound with molecular formula C13H19N2O+ and molecular weight 219.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
蟾蜍特尼定
2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium
Also Known As: Cinobufotenine, Bufoteninium, Bufotenium, N,N,N-Trimethylserotonin, Bufotenidine
| Molecular Formula | C13H19N2O+ |
|---|---|
| Molecular Weight | 219.15 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 36.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.14973 |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 487-91-2 |
|---|---|
| SMILES | C[N+](C)(C)CCC1=CNC2=C1C=C(C=C2)O |
| InChIKey | HIYGARYIJIZXGW-UHFFFAOYSA-O |
Product Overview
蟾蜍特尼定 (CAS 487-91-2), with molecular formula C13H19N2O+ and molecular weight 219.15 g/mol. IUPAC: 2-(5-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium.
Chemical Property Profile of 蟾蜍特尼定
Property Insights of 蟾蜍特尼定
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 蟾蜍特尼定. With a topological polar surface area (TPSA) of 36.0 Ų, 蟾蜍特尼定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 蟾蜍特尼定 has 2 hydrogen bond donor(s) and 1 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 蟾蜍特尼定?
The CAS number of 蟾蜍特尼定 is 487-91-2.
What is the molecular formula of 蟾蜍特尼定?
The molecular formula of 蟾蜍特尼定 is C13H19N2O+.
What is the molecular weight of 蟾蜍特尼定?
The molecular weight of 蟾蜍特尼定 is 219.15 g/mol.
Where can I buy 蟾蜍特尼定?
You can request a quote for 蟾蜍特尼定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 蟾蜍特尼定?
Yes, KEHONG BIO provides custom synthesis services for 蟾蜍特尼定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.