Indisetron hydrochloride
TL;DR: Indisetron hydrochloride (CAS 160472-97-9) is a chemical compound with molecular formula C17H25Cl2N5O and molecular weight 385.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1R,5S)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide;dihydrochloride
Also Known As: Indisetron hydrochloride, Sinseron, Sinseron (TN), Indisetron HCl Nisshin, Indisetron Dihydrochloride
| Molecular Formula | C17H25Cl2N5O |
|---|---|
| Molecular Weight | 385.14 g/mol |
| LogP | 1.9131 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.14362 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 160472-97-9 |
|---|---|
| SMILES | CN1C[C@H]2CC(C[C@@H](C1)N2C)NC(=O)C3=NNC4=CC=CC=C43.Cl.Cl |
| InChIKey | KOYCUQMOCJHRJC-MLOZCBHJSA-N |
Product Overview
Indisetron hydrochloride (CAS 160472-97-9), with molecular formula C17H25Cl2N5O and molecular weight 385.14 g/mol. IUPAC: N-[(1R,5S)-3,9-dimethyl-3,9-diazabicyclo[3.3.1]nonan-7-yl]-1H-indazole-3-carboxamide;dihydrochloride.
Chemical Property Profile of Indisetron hydrochloride
Property Insights of Indisetron hydrochloride
The XLogP value of 1.9131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indisetron hydrochloride. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Indisetron hydrochloride. Following Lipinski's Rule of Five, Indisetron hydrochloride has 4 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 Indisetron hydrochloride?
The CAS number of Indisetron hydrochloride is 160472-97-9.
What is the molecular formula of Indisetron hydrochloride?
The molecular formula of Indisetron hydrochloride is C17H25Cl2N5O.
What is the molecular weight of Indisetron hydrochloride?
The molecular weight of Indisetron hydrochloride is 385.14 g/mol.
Where can I buy Indisetron hydrochloride?
You can request a quote for Indisetron hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indisetron hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Indisetron hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.