Repinotan hydrochloride
TL;DR: Repinotan hydrochloride (CAS 144980-77-8) is a chemical compound with molecular formula C21H25ClN2O4S and molecular weight 436.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride
Also Known As: Repinotan hydrochloride, Repinotan HCl, Branosyn, Repinotan, Repinotan (hydrochloride)
| Molecular Formula | C21H25ClN2O4S |
|---|---|
| Molecular Weight | 436.12 g/mol |
| LogP | 3.0165 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.12234 |
| Heavy Atoms | 29 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 144980-77-8 |
|---|---|
| SMILES | C1CC2=CC=CC=C2O[C@H]1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O.Cl |
| InChIKey | IGKYREHZJIHPML-UNTBIKODSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Repinotan hydrochloride (CAS 144980-77-8), with molecular formula C21H25ClN2O4S and molecular weight 436.12 g/mol. IUPAC: 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one;hydrochloride.
Chemical Property Profile of Repinotan hydrochloride
Property Insights of Repinotan hydrochloride
The XLogP value of 3.0165 indicates that Repinotan hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Repinotan hydrochloride. Following Lipinski's Rule of Five, Repinotan hydrochloride has 2 hydrogen bond donor(s) and 5 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 Repinotan hydrochloride?
The CAS number of Repinotan hydrochloride is 144980-77-8.
What is the molecular formula of Repinotan hydrochloride?
The molecular formula of Repinotan hydrochloride is C21H25ClN2O4S.
What is the molecular weight of Repinotan hydrochloride?
The molecular weight of Repinotan hydrochloride is 436.12 g/mol.
Where can I buy Repinotan hydrochloride?
You can request a quote for Repinotan hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Repinotan hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Repinotan hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.