甲胺太林
TL;DR: 甲胺太林 (CAS 5818-17-7) is a chemical compound with molecular formula C21H26NO3+ and molecular weight 340.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲胺太林
diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
Also Known As: methantheline, Methanthelinium, Methanthelinum, Methantheline ion, Banthine bromide
| Molecular Formula | C21H26NO3+ |
|---|---|
| Molecular Weight | 340.19 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.19125 |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
| Solubility | 1.32e-04 g/L |
Chemical Identifiers
| CAS Number | 5818-17-7 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13 |
| InChIKey | GZHFODJQISUKAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲胺太林 (CAS 5818-17-7), with molecular formula C21H26NO3+ and molecular weight 340.19 g/mol. IUPAC: diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium.
Chemical Property Profile of 甲胺太林
Property Insights of 甲胺太林
The XLogP value of 3.3 indicates that Methantheline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 甲胺太林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methantheline has 0 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 Methantheline?
The CAS number of Methantheline is 5818-17-7.
What is the molecular formula of Methantheline?
The molecular formula of Methantheline is C21H26NO3+.
What is the molecular weight of Methantheline?
The molecular weight of Methantheline is 340.19 g/mol.
Where can I buy Methantheline?
You can request a quote for Methantheline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methantheline?
Yes, KEHONG BIO provides custom synthesis services for Methantheline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.