Repinotan
TL;DR: Repinotan (CAS 144980-29-0) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 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
Also Known As: Repinotan, repinotanum, Repinotan [INN], Repinotan (BAYx3702), REPINOTAN [MI]
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 144980-29-0 |
|---|---|
| SMILES | C1CC2=CC=CC=C2O[C@H]1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O |
| InChIKey | YGYBFMRFXNDIPO-QGZVFWFLSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Repinotan (CAS 144980-29-0), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one.
Chemical Property Profile of Repinotan
Property Insights of Repinotan
The XLogP value of 3.0 indicates that Repinotan 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. Following Lipinski's Rule of Five, Repinotan has 1 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?
The CAS number of Repinotan is 144980-29-0.
What is the molecular formula of Repinotan?
The molecular formula of Repinotan is C21H24N2O4S.
What is the molecular weight of Repinotan?
The molecular weight of Repinotan is 400.15 g/mol.
Where can I buy Repinotan?
You can request a quote for Repinotan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Repinotan?
Yes, KEHONG BIO provides custom synthesis services for Repinotan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.