5-甲基芦竹碱
TL;DR: 5-甲基芦竹碱 (CAS 30218-58-7) is a chemical compound with molecular formula C12H16N2 and molecular weight 188.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-甲基芦竹碱
N,N-dimethyl-1-(5-methyl-1H-indol-3-yl)methanamine
Also Known As: 5-Methylgramine, N,N-dimethyl-1-(5-methyl-1H-indol-3-yl)methanamine, 5-methyl gramine, 1H-Indole-3-methanamine, N,N,5-trimethyl-, dimethyl[(5-methyl-1H-indol-3-yl)methyl]amine
| Molecular Formula | C12H16N2 |
|---|---|
| Molecular Weight | 188.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.13135 |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 30218-58-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC=C2CN(C)C |
| InChIKey | GXCDTJAVATWRFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-甲基芦竹碱 (CAS 30218-58-7), with molecular formula C12H16N2 and molecular weight 188.13 g/mol. IUPAC: N,N-dimethyl-1-(5-methyl-1H-indol-3-yl)methanamine.
Chemical Property Profile of 5-甲基芦竹碱
Property Insights of 5-甲基芦竹碱
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-甲基芦竹碱. With a topological polar surface area (TPSA) of 19.0 Ų, 5-甲基芦竹碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-甲基芦竹碱 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 5-甲基芦竹碱?
The CAS number of 5-甲基芦竹碱 is 30218-58-7.
What is the molecular formula of 5-甲基芦竹碱?
The molecular formula of 5-甲基芦竹碱 is C12H16N2.
What is the molecular weight of 5-甲基芦竹碱?
The molecular weight of 5-甲基芦竹碱 is 188.13 g/mol.
Where can I buy 5-甲基芦竹碱?
You can request a quote for 5-甲基芦竹碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-甲基芦竹碱?
Yes, KEHONG BIO provides custom synthesis services for 5-甲基芦竹碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.