芦竹碱
TL;DR: 芦竹碱 (CAS 87-52-5) is a chemical compound with molecular formula C11H14N2 and molecular weight 174.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
芦竹碱
1-(1H-indol-3-yl)-N,N-dimethylmethanamine
Also Known As: Gramine, Donaxine, 3-(Dimethylaminomethyl)indole, Donaxin, Gramin
| Molecular Formula | C11H14N2 |
|---|---|
| Molecular Weight | 174.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.11569 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
| Melting Point | 138 - 139 °C |
Chemical Identifiers
| CAS Number | 87-52-5 |
|---|---|
| SMILES | CN(C)CC1=CNC2=CC=CC=C21 |
| InChIKey | OCDGBSUVYYVKQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
芦竹碱 (CAS 87-52-5), with molecular formula C11H14N2 and molecular weight 174.12 g/mol. IUPAC: 1-(1H-indol-3-yl)-N,N-dimethylmethanamine.
Chemical Property Profile of 芦竹碱
Property Insights of 芦竹碱
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 芦竹碱. With a topological polar surface area (TPSA) of 19.0 Ų, 芦竹碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 芦竹碱 has 1 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 芦竹碱?
The CAS number of 芦竹碱 is 87-52-5.
What is the molecular formula of 芦竹碱?
The molecular formula of 芦竹碱 is C11H14N2.
What is the molecular weight of 芦竹碱?
The molecular weight of 芦竹碱 is 174.12 g/mol.
Where can I buy 芦竹碱?
You can request a quote for 芦竹碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 芦竹碱?
Yes, KEHONG BIO provides custom synthesis services for 芦竹碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.