Necrostatin-1s
TL;DR: Necrostatin-1s (CAS 852391-19-6) is a chemical compound with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
Also Known As: Necrostatin 2 racemate, necrostatin-1s, Necrostatin 2 (racemate), Necrostatin 2, Necrostatin 1S
| Molecular Formula | C13H12ClN3O2 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.0618 |
| Heavy Atoms | 19 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 852391-19-6 |
|---|---|
| SMILES | CN1C(=O)C(NC1=O)CC2=CNC3=C2C=CC=C3Cl |
| InChIKey | WIKGAEMMNQTUGL-UHFFFAOYSA-N |
Product Overview
Necrostatin-1s (CAS 852391-19-6), with molecular formula C13H12ClN3O2 and molecular weight 277.06 g/mol. IUPAC: 5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione.
Chemical Property Profile of Necrostatin-1s
Property Insights of Necrostatin-1s
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Necrostatin-1s. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Necrostatin-1s. Following Lipinski's Rule of Five, Necrostatin-1s 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 Necrostatin-1s?
The CAS number of Necrostatin-1s is 852391-19-6.
What is the molecular formula of Necrostatin-1s?
The molecular formula of Necrostatin-1s is C13H12ClN3O2.
What is the molecular weight of Necrostatin-1s?
The molecular weight of Necrostatin-1s is 277.06 g/mol.
Where can I buy Necrostatin-1s?
You can request a quote for Necrostatin-1s directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Necrostatin-1s?
Yes, KEHONG BIO provides custom synthesis services for Necrostatin-1s and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.