3H-952
TL;DR: 3H-952 (CAS 338410-24-5) is a chemical compound with molecular formula C17H13ClF3N7 and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3,5-dicarbonitrile
Also Known As: 3H-952, 2-Amino-6-(4-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)piperazino)-3,5-pyridinedicarbonitrile, 2-amino-6-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridine-3,5-dicarbonitrile, 2-amino-6-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pyridine-3,5-dicarbonitrile, 2-Amino-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-3,5-pyridinedicarbonitrile
| Molecular Formula | C17H13ClF3N7 |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 2.80096 |
| Topological Polar Surface Area | 105.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 407.0873 |
| Heavy Atoms | 28 |
| Complexity | 985.9565 |
Chemical Identifiers
| CAS Number | 338410-24-5 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C(=N2)N)C#N)C#N)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3H-952 (CAS 338410-24-5), with molecular formula C17H13ClF3N7 and molecular weight 407.09 g/mol. IUPAC: 2-amino-6-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridine-3,5-dicarbonitrile.
Chemical Property Profile of 3H-952
Property Insights of 3H-952
The XLogP value of 2.80096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-952. The TPSA of 105.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-952. Following Lipinski's Rule of Five, 3H-952 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 3H-952?
The CAS number of 3H-952 is 338410-24-5.
What is the molecular formula of 3H-952?
The molecular formula of 3H-952 is C17H13ClF3N7.
What is the molecular weight of 3H-952?
The molecular weight of 3H-952 is 407.09 g/mol.
Where can I buy 3H-952?
You can request a quote for 3H-952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-952?
Yes, KEHONG BIO provides custom synthesis services for 3H-952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.