6H-950
TL;DR: 6H-950 (CAS 338795-04-3) is a chemical compound with molecular formula C21H15ClF3N7 and molecular weight 457.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile
Also Known As: 6H-950, 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile, 2-(4-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)piperazino)-6-(1H-pyrrol-1-yl)-3,5-pyridinedicarbonitrile, 2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-6-(1H-pyrrol-1-yl)-3,5-pyridinedicarbonitrile, 2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-6-(1H-pyrrol-1-yl)pyridine-3,5-dicarbonitrile
| Molecular Formula | C21H15ClF3N7 |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 4.00946 |
| Topological Polar Surface Area | 84.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.10297 |
| Heavy Atoms | 32 |
| Complexity | 1217.911 |
Chemical Identifiers
| CAS Number | 338795-04-3 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C(=N2)N3C=CC=C3)C#N)C#N)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
6H-950 (CAS 338795-04-3), with molecular formula C21H15ClF3N7 and molecular weight 457.10 g/mol. IUPAC: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of 6H-950
Property Insights of 6H-950
The XLogP value of 4.00946 indicates that 6H-950 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-950. Following Lipinski's Rule of Five, 6H-950 has 0 hydrogen bond donor(s) and 6 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 6H-950?
The CAS number of 6H-950 is 338795-04-3.
What is the molecular formula of 6H-950?
The molecular formula of 6H-950 is C21H15ClF3N7.
What is the molecular weight of 6H-950?
The molecular weight of 6H-950 is 457.10 g/mol.
Where can I buy 6H-950?
You can request a quote for 6H-950 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-950?
Yes, KEHONG BIO provides custom synthesis services for 6H-950 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.