舒马曲坦
TL;DR: 舒马曲坦 (CAS 103628-46-2) is a chemical compound with molecular formula C14H21N3O2S and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
舒马曲坦
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
Also Known As: sumatriptan, Imitrex, Sumatran, Sumax, Imigran
| Molecular Formula | C14H21N3O2S |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 295.13544 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
| Melting Point | 169-170 |
| Solubility | 54mg/mL |
Chemical Identifiers
| CAS Number | 103628-46-2 |
|---|---|
| SMILES | CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C |
| InChIKey | KQKPFRSPSRPDEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
舒马曲坦 (CAS 103628-46-2), with molecular formula C14H21N3O2S and molecular weight 295.14 g/mol. IUPAC: 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide.
Chemical Property Profile of 舒马曲坦
Property Insights of 舒马曲坦
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 舒马曲坦. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 舒马曲坦. Following Lipinski's Rule of Five, 舒马曲坦 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 舒马曲坦?
The CAS number of 舒马曲坦 is 103628-46-2.
What is the molecular formula of 舒马曲坦?
The molecular formula of 舒马曲坦 is C14H21N3O2S.
What is the molecular weight of 舒马曲坦?
The molecular weight of 舒马曲坦 is 295.14 g/mol.
Where can I buy 舒马曲坦?
You can request a quote for 舒马曲坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 舒马曲坦?
Yes, KEHONG BIO provides custom synthesis services for 舒马曲坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.