2H-977
TL;DR: 2H-977 (CAS 321534-68-3) is a chemical compound with molecular formula C26H15Cl2F4N5O2 and molecular weight 575.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
Also Known As: 2H-977, 1-(4-chlorophenyl)-5-{1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-5-yl}-3-(4-fluorobenzyl)-2,4(1H,3H)-pyrimidinedione, 1-(4-chlorophenyl)-5-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione, 5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-5-yl}-1-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione, 1-(4-CHLOROPHENYL)-5-(1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1H-PYRAZOL-5-YL)-3-(4-FLUOROBENZYL)-2,4(1H,3H)-PYRIMIDINEDIONE
| Molecular Formula | C26H15Cl2F4N5O2 |
|---|---|
| Molecular Weight | 575.05 g/mol |
| LogP | 5.7599 |
| Topological Polar Surface Area | 74.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 575.0539 |
| Heavy Atoms | 39 |
| Complexity | 1794.1024 |
Chemical Identifiers
| CAS Number | 321534-68-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=O)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C4=CC=NN4C5=C(C=C(C=N5)C(F)(F)F)Cl)F |
Product Overview
2H-977 (CAS 321534-68-3), with molecular formula C26H15Cl2F4N5O2 and molecular weight 575.05 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
Chemical Property Profile of 2H-977
Property Insights of 2H-977
The XLogP value of 5.7599 indicates that 2H-977 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-977. Following Lipinski's Rule of Five, 2H-977 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2H-977?
The CAS number of 2H-977 is 321534-68-3.
What is the molecular formula of 2H-977?
The molecular formula of 2H-977 is C26H15Cl2F4N5O2.
What is the molecular weight of 2H-977?
The molecular weight of 2H-977 is 575.05 g/mol.
Where can I buy 2H-977?
You can request a quote for 2H-977 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-977?
Yes, KEHONG BIO provides custom synthesis services for 2H-977 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.