Sumatriptan
TL;DR: Sumatriptan (CAS 103628-46-2) is a chemical compound with molecular formula C14H21N3O2S and molecular weight 295.13544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Also Known As: sumatriptan, Imitrex, Sumatran, Sumax, Imigran
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H21N3O2S |
| Molecular Weight | 295.13544 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.13544 Da |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
| Melting Point | 169-170 |
| Solubility | 54mg/mL |
| SMILES | CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C |
| InChIKey | KQKPFRSPSRPDEB-UHFFFAOYSA-N |
Chemical Property Profile of Sumatriptan
Property Insights of Sumatriptan
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sumatriptan. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Sumatriptan. Following Lipinski's Rule of Five, Sumatriptan 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
What is the CAS number of Sumatriptan?
The CAS number of Sumatriptan is 103628-46-2.
What is the molecular formula of Sumatriptan?
The molecular formula of Sumatriptan is C14H21N3O2S.
What is the molecular weight of Sumatriptan?
The molecular weight of Sumatriptan is 295.13544 g/mol.
Where can I buy Sumatriptan?
You can request a quote for Sumatriptan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Sumatriptan?
Yes, CoreyChem provides custom synthesis services for Sumatriptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.