2H-952
TL;DR: 2H-952 (CAS 338399-55-6) is a chemical compound with molecular formula C21H22ClF3N4O2 and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-tert-butylphenyl)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
Also Known As: 2H-952, N-[4-(tert-butyl)phenyl]-5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxamide, N-(4-tert-butylphenyl)-5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carboxamide, N-(4-tert-butylphenyl)-5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
| Molecular Formula | C21H22ClF3N4O2 |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 5.2468 |
| Topological Polar Surface Area | 75.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.13834 |
| Heavy Atoms | 31 |
| Complexity | 985.59985 |
Chemical Identifiers
| CAS Number | 338399-55-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)C2=NOC(C2)CNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
2H-952 (CAS 338399-55-6), with molecular formula C21H22ClF3N4O2 and molecular weight 454.14 g/mol. IUPAC: N-(4-tert-butylphenyl)-5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
Chemical Property Profile of 2H-952
Property Insights of 2H-952
The XLogP value of 5.2468 indicates that 2H-952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-952. Following Lipinski's Rule of Five, 2H-952 has 2 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-952?
The CAS number of 2H-952 is 338399-55-6.
What is the molecular formula of 2H-952?
The molecular formula of 2H-952 is C21H22ClF3N4O2.
What is the molecular weight of 2H-952?
The molecular weight of 2H-952 is 454.14 g/mol.
Where can I buy 2H-952?
You can request a quote for 2H-952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-952?
Yes, KEHONG BIO provides custom synthesis services for 2H-952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.