阿洛司琼
TL;DR: 阿洛司琼 (CAS 122852-42-0) is a chemical compound with molecular formula C17H18N4O and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿洛司琼
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
Also Known As: alosetron, Lotronex, Alosetron HCl, alosetronum, Alosetrone
| Molecular Formula | C17H18N4O |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.14807 |
| Heavy Atoms | 22 |
| Complexity | 442.0 |
| Solubility | 4.38e-01 g/L |
Chemical Identifiers
| CAS Number | 122852-42-0 |
|---|---|
| SMILES | CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C |
| InChIKey | JSWZEAMFRNKZNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿洛司琼 (CAS 122852-42-0), with molecular formula C17H18N4O and molecular weight 294.15 g/mol. IUPAC: 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one.
Chemical Property Profile of 阿洛司琼
Property Insights of 阿洛司琼
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿洛司琼. With a topological polar surface area (TPSA) of 53.9 Ų, 阿洛司琼 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿洛司琼 has 1 hydrogen bond donor(s) and 2 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 阿洛司琼?
The CAS number of 阿洛司琼 is 122852-42-0.
What is the molecular formula of 阿洛司琼?
The molecular formula of 阿洛司琼 is C17H18N4O.
What is the molecular weight of 阿洛司琼?
The molecular weight of 阿洛司琼 is 294.15 g/mol.
Where can I buy 阿洛司琼?
You can request a quote for 阿洛司琼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿洛司琼?
Yes, KEHONG BIO provides custom synthesis services for 阿洛司琼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.