2H-964
TL;DR: 2H-964 (CAS 321534-67-2) is a chemical compound with molecular formula C21H16Cl2F6N6O and molecular weight 552.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
Also Known As: 2H-964, {1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-1H-pyrazol-4-yl}{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}methanone, [1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methylpyrazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-1H-pyrazole-4-carbonyl}piperazine
| Molecular Formula | C21H16Cl2F6N6O |
|---|---|
| Molecular Weight | 552.07 g/mol |
| LogP | 5.27752 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 552.0667 |
| Heavy Atoms | 36 |
| Complexity | 1301.0251 |
Chemical Identifiers
| CAS Number | 321534-67-2 |
|---|---|
| SMILES | CC1=NN(C=C1C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
2H-964 (CAS 321534-67-2), with molecular formula C21H16Cl2F6N6O and molecular weight 552.07 g/mol. IUPAC: [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrazol-4-yl]-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
Chemical Property Profile of 2H-964
Property Insights of 2H-964
The XLogP value of 5.27752 indicates that 2H-964 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-964. Following Lipinski's Rule of Five, 2H-964 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-964?
The CAS number of 2H-964 is 321534-67-2.
What is the molecular formula of 2H-964?
The molecular formula of 2H-964 is C21H16Cl2F6N6O.
What is the molecular weight of 2H-964?
The molecular weight of 2H-964 is 552.07 g/mol.
Where can I buy 2H-964?
You can request a quote for 2H-964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-964?
Yes, KEHONG BIO provides custom synthesis services for 2H-964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.