利扎曲坦
TL;DR: 利扎曲坦 (CAS 144034-80-0) is a chemical compound with molecular formula C15H19N5 and molecular weight 269.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
利扎曲坦
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
Also Known As: rizatriptan, Risatriptan, Rizatriptan benzoate, MK 462 free base, rizatriptanum
| Molecular Formula | C15H19N5 |
|---|---|
| Molecular Weight | 269.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.16403 |
| Heavy Atoms | 20 |
| Complexity | 309.0 |
| Melting Point | 178-180 |
| Solubility | 42 |
Chemical Identifiers
| CAS Number | 144034-80-0 |
|---|---|
| SMILES | CN(C)CCC1=CNC2=C1C=C(C=C2)CN3C=NC=N3 |
| InChIKey | ULFRLSNUDGIQQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
利扎曲坦 (CAS 144034-80-0), with molecular formula C15H19N5 and molecular weight 269.16 g/mol. IUPAC: N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine.
Chemical Property Profile of 利扎曲坦
Property Insights of 利扎曲坦
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 利扎曲坦. With a topological polar surface area (TPSA) of 49.7 Ų, 利扎曲坦 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 利扎曲坦 has 1 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 利扎曲坦?
The CAS number of 利扎曲坦 is 144034-80-0.
What is the molecular formula of 利扎曲坦?
The molecular formula of 利扎曲坦 is C15H19N5.
What is the molecular weight of 利扎曲坦?
The molecular weight of 利扎曲坦 is 269.16 g/mol.
Where can I buy 利扎曲坦?
You can request a quote for 利扎曲坦 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 利扎曲坦?
Yes, KEHONG BIO provides custom synthesis services for 利扎曲坦 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.