4H-957
TL;DR: 4H-957 (CAS 338422-66-5) is a chemical compound with molecular formula C19H18ClF3N6O2 and molecular weight 454.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-2-phenyl-1,2,4-triazolidin-3-one
Also Known As: 4H-957, 5-[5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-2-phenyl-1,2,4-triazolidin-3-one, 5-[5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-5-methyl-2-phenyl-1,2,4-triazolan-3-one, 5-[5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-2-phenyl-1,2,4-triazolidin-3-one
| Molecular Formula | C19H18ClF3N6O2 |
|---|---|
| Molecular Weight | 454.11 g/mol |
| LogP | 3.7612 |
| Topological Polar Surface Area | 90.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.1132 |
| Heavy Atoms | 31 |
| Complexity | 1019.4479 |
Chemical Identifiers
| CAS Number | 338422-66-5 |
|---|---|
| SMILES | CC1(NC(=O)N(N1)C2=CC=CC=C2)C3=NOC(C3)CNC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
4H-957 (CAS 338422-66-5), with molecular formula C19H18ClF3N6O2 and molecular weight 454.11 g/mol. IUPAC: 5-[5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazol-3-yl]-5-methyl-2-phenyl-1,2,4-triazolidin-3-one.
Chemical Property Profile of 4H-957
Property Insights of 4H-957
The XLogP value of 3.7612 indicates that 4H-957 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-957. Following Lipinski's Rule of Five, 4H-957 has 3 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 4H-957?
The CAS number of 4H-957 is 338422-66-5.
What is the molecular formula of 4H-957?
The molecular formula of 4H-957 is C19H18ClF3N6O2.
What is the molecular weight of 4H-957?
The molecular weight of 4H-957 is 454.11 g/mol.
Where can I buy 4H-957?
You can request a quote for 4H-957 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-957?
Yes, KEHONG BIO provides custom synthesis services for 4H-957 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.