MJ 13980-1
TL;DR: MJ 13980-1 (CAS 92026-63-6) is a chemical compound with molecular formula C21H28ClN5O2S and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride
Also Known As: Bmy 13980, Bmy-13980-1, MJ 13980-1, MJ-13980-1, 2-(4-(4-(7,9-Dioxo-6-thia-8-azaspiro(4,4)nonan-8-yl)butyl)-1-piperazinyl)pyridine-3-carbonitrile hcl
| Molecular Formula | C21H28ClN5O2S |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 3.28548 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.16522 |
| Heavy Atoms | 30 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 92026-63-6 |
|---|---|
| SMILES | C1CCC2(C1)C(=O)N(C(=O)S2)CCCCN3CCN(CC3)C4=C(C=CC=N4)C#N.Cl |
| InChIKey | KYQWKVHYBNLXGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MJ 13980-1 (CAS 92026-63-6), with molecular formula C21H28ClN5O2S and molecular weight 449.17 g/mol. IUPAC: 2-[4-[4-(2,4-dioxo-1-thia-3-azaspiro[4.4]nonan-3-yl)butyl]piperazin-1-yl]pyridine-3-carbonitrile;hydrochloride.
Chemical Property Profile of MJ 13980-1
Property Insights of MJ 13980-1
The XLogP value of 3.28548 indicates that MJ 13980-1 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 MJ 13980-1. Following Lipinski's Rule of Five, MJ 13980-1 has 1 hydrogen bond donor(s) and 7 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 MJ 13980-1?
The CAS number of MJ 13980-1 is 92026-63-6.
What is the molecular formula of MJ 13980-1?
The molecular formula of MJ 13980-1 is C21H28ClN5O2S.
What is the molecular weight of MJ 13980-1?
The molecular weight of MJ 13980-1 is 449.17 g/mol.
Where can I buy MJ 13980-1?
You can request a quote for MJ 13980-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MJ 13980-1?
Yes, KEHONG BIO provides custom synthesis services for MJ 13980-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.