那拉曲坦
TL;DR: 那拉曲坦 (CAS 121679-13-8) 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.
那拉曲坦
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
Also Known As: naratriptan, Naramig, Amerge, naratriptanum, Colatan
| Molecular Formula | C17H25N3O2S |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.16675 |
| Heavy Atoms | 23 |
| Complexity | 483.0 |
| Melting Point | 246 |
| Solubility | 35 |
Chemical Identifiers
| CAS Number | 121679-13-8 |
|---|---|
| SMILES | CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C |
| InChIKey | AMKVXSZCKVJAGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
那拉曲坦 (CAS 121679-13-8), with molecular formula C17H25N3O2S and molecular weight 335.17 g/mol. IUPAC: N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide.
Chemical Property Profile of 那拉曲坦
Property Insights of 那拉曲坦
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 那拉曲坦. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 那拉曲坦. Following Lipinski's Rule of Five, 那拉曲坦 has 2 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 那拉曲坦?
The CAS number of 那拉曲坦 is 121679-13-8.
What is the molecular formula of 那拉曲坦?
The molecular formula of 那拉曲坦 is C17H25N3O2S.
What is the molecular weight of 那拉曲坦?
The molecular weight of 那拉曲坦 is 335.17 g/mol.
Where can I buy 那拉曲坦?
You can request a quote for 那拉曲坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 那拉曲坦?
Yes, KEHONG BIO provides custom synthesis services for 那拉曲坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.