Alosetron Hydrochloride
TL;DR: Alosetron Hydrochloride (CAS 122852-69-1) is a chemical compound with molecular formula C17H19ClN4O and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride
Also Known As: ALOSETRON HYDROCHLORIDE, Alosetron HCl, Lotronex, alosetron, Lotrpnex
| Molecular Formula | C17H19ClN4O |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.83 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.12473 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
| Melting Point | 288-291 °C |
| Solubility | White to beige solid with a solubility of 61 mg/ml in water, 42 mg/ml in 0.1M hydrochloric acid, 0.3 mg/ml in pH 6 phosphate buffer, and <0.1 mg/ml in pH 8 phosphate buffer /Hydrochloride/ |
Chemical Identifiers
| CAS Number | 122852-69-1 |
|---|---|
| SMILES | CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl |
| InChIKey | FNYQZOVOVDSGJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Alosetron Hydrochloride (CAS 122852-69-1), with molecular formula C17H19ClN4O and molecular weight 330.12 g/mol. IUPAC: 5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one;hydrochloride.
Chemical Property Profile of Alosetron Hydrochloride
Property Insights of Alosetron Hydrochloride
The XLogP value of 2.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alosetron Hydrochloride. With a topological polar surface area (TPSA) of 53.9 Ų, Alosetron Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alosetron Hydrochloride has 2 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 Alosetron Hydrochloride?
The CAS number of Alosetron Hydrochloride is 122852-69-1.
What is the molecular formula of Alosetron Hydrochloride?
The molecular formula of Alosetron Hydrochloride is C17H19ClN4O.
What is the molecular weight of Alosetron Hydrochloride?
The molecular weight of Alosetron Hydrochloride is 330.12 g/mol.
Where can I buy Alosetron Hydrochloride?
You can request a quote for Alosetron Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alosetron Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Alosetron Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.