Carsatrin, (S)-
TL;DR: Carsatrin, (S)- (CAS 125345-93-9) is a chemical compound with molecular formula C25H26F2N6OS and molecular weight 496.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol
Also Known As: Carsatrin, (S)-, Carsatrin, J1.238.680J, (2s)-1-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-3-(7h-purin-6-ylsulfanyl)propan-2-ol, 1-Piperazineethanol, 4-(bis(4-fluorophenyl)methyl)-alpha-((1H-purin-6-ylthio)methyl)-, (alphaS)-
| Molecular Formula | C25H26F2N6OS |
|---|---|
| Molecular Weight | 496.19 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 496.1857 |
| Heavy Atoms | 35 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 125345-93-9 |
|---|---|
| SMILES | C1CN(CCN1C[C@@H](CSC2=NC=NC3=C2NC=N3)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
| InChIKey | JOMBZLFCXNSKEQ-NRFANRHFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carsatrin, (S)- (CAS 125345-93-9), with molecular formula C25H26F2N6OS and molecular weight 496.19 g/mol. IUPAC: (2S)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol.
Chemical Property Profile of Carsatrin, (S)-
Property Insights of Carsatrin, (S)-
The XLogP value of 3.6 indicates that Carsatrin, (S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carsatrin, (S)-. Following Lipinski's Rule of Five, Carsatrin, (S)- has 2 hydrogen bond donor(s) and 9 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 Carsatrin, (S)-?
The CAS number of Carsatrin, (S)- is 125345-93-9.
What is the molecular formula of Carsatrin, (S)-?
The molecular formula of Carsatrin, (S)- is C25H26F2N6OS.
What is the molecular weight of Carsatrin, (S)-?
The molecular weight of Carsatrin, (S)- is 496.19 g/mol.
Where can I buy Carsatrin, (S)-?
You can request a quote for Carsatrin, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carsatrin, (S)-?
Yes, KEHONG BIO provides custom synthesis services for Carsatrin, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.