阿莫曲坦
TL;DR: 阿莫曲坦 (CAS 1020764-56-0) is a chemical compound with molecular formula C17H25N3O2S and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿莫曲坦
N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
Also Known As: Almotriptan, Axert, Almogran, almotriptanum, Almotrintan
| Molecular Formula | C17H25N3O2S |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 64.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.16675 |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
| Solubility | 1.21e-01 g/L |
Chemical Identifiers
| CAS Number | 1020764-56-0 |
|---|---|
| SMILES | CN(C)CCC1=CNC2=C1C=C(C=C2)CS(=O)(=O)N3CCCC3 |
| InChIKey | WKEMJKQOLOHJLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿莫曲坦 (CAS 1020764-56-0), with molecular formula C17H25N3O2S and molecular weight 335.17 g/mol. IUPAC: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine.
Chemical Property Profile of 阿莫曲坦
Property Insights of 阿莫曲坦
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿莫曲坦. The TPSA of 64.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 阿莫曲坦. Following Lipinski's Rule of Five, 阿莫曲坦 has 1 hydrogen bond donor(s) and 4 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 阿莫曲坦?
The CAS number of 阿莫曲坦 is 1020764-56-0.
What is the molecular formula of 阿莫曲坦?
The molecular formula of 阿莫曲坦 is C17H25N3O2S.
What is the molecular weight of 阿莫曲坦?
The molecular weight of 阿莫曲坦 is 335.17 g/mol.
Where can I buy 阿莫曲坦?
You can request a quote for 阿莫曲坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿莫曲坦?
Yes, KEHONG BIO provides custom synthesis services for 阿莫曲坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.