刺桐碱
TL;DR: 刺桐碱 (CAS 487-58-1) is a chemical compound with molecular formula C14H19N2O2+ and molecular weight 247.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
刺桐碱
[1-carboxy-2-(1H-indol-3-yl)ethyl]-trimethylazanium
Also Known As: NCIOpen2_005816, MEGxp0_001412, ACon1_001386, [1-carboxy-2-(1H-indol-3-yl)ethyl]trimethylazanium, alpha-Carboxy-N,N,N-trimethyl-1H-indole-3-ethan-1-aminium
| Molecular Formula | C14H19N2O2+ |
|---|---|
| Molecular Weight | 247.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.14465 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 487-58-1 |
|---|---|
| SMILES | C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)O |
| InChIKey | AOHCBEAZXHZMOR-UHFFFAOYSA-O |
Product Overview
刺桐碱 (CAS 487-58-1), with molecular formula C14H19N2O2+ and molecular weight 247.14 g/mol. IUPAC: [1-carboxy-2-(1H-indol-3-yl)ethyl]-trimethylazanium.
Chemical Property Profile of 刺桐碱
Property Insights of 刺桐碱
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 刺桐碱. With a topological polar surface area (TPSA) of 53.1 Ų, 刺桐碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 刺桐碱 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 刺桐碱?
The CAS number of 刺桐碱 is 487-58-1.
What is the molecular formula of 刺桐碱?
The molecular formula of 刺桐碱 is C14H19N2O2+.
What is the molecular weight of 刺桐碱?
The molecular weight of 刺桐碱 is 247.14 g/mol.
Where can I buy 刺桐碱?
You can request a quote for 刺桐碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 刺桐碱?
Yes, KEHONG BIO provides custom synthesis services for 刺桐碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.