3G-952
TL;DR: 3G-952 (CAS 338409-34-0) is a chemical compound with molecular formula C19H16ClF3N4O2 and molecular weight 424.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Also Known As: 3G-952, N-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide, N-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide, N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
| Molecular Formula | C19H16ClF3N4O2 |
|---|---|
| Molecular Weight | 424.09 g/mol |
| LogP | 4.55912 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.0914 |
| Heavy Atoms | 29 |
| Complexity | 1006.434 |
Chemical Identifiers
| CAS Number | 338409-34-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3G-952 (CAS 338409-34-0), with molecular formula C19H16ClF3N4O2 and molecular weight 424.09 g/mol. IUPAC: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 3G-952
Property Insights of 3G-952
The XLogP value of 4.55912 indicates that 3G-952 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-952. Following Lipinski's Rule of Five, 3G-952 has 2 hydrogen bond donor(s) and 5 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 3G-952?
The CAS number of 3G-952 is 338409-34-0.
What is the molecular formula of 3G-952?
The molecular formula of 3G-952 is C19H16ClF3N4O2.
What is the molecular weight of 3G-952?
The molecular weight of 3G-952 is 424.09 g/mol.
Where can I buy 3G-952?
You can request a quote for 3G-952 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-952?
Yes, KEHONG BIO provides custom synthesis services for 3G-952 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.