3G-079
TL;DR: 3G-079 (CAS 861211-79-2) is a chemical compound with molecular formula C18H12ClF3N2O3 and molecular weight 396.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethyl] acetate
Also Known As: 3G-079, {3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-isoxazolyl}(phenyl)methyl acetate, [[3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl]-phenylmethyl] acetate, {3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl}(phenyl)methyl acetate, {3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazol-5-yl}(phenyl)methylacetate
| Molecular Formula | C18H12ClF3N2O3 |
|---|---|
| Molecular Weight | 396.05 g/mol |
| LogP | 5.0613 |
| Topological Polar Surface Area | 65.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.04886 |
| Heavy Atoms | 27 |
| Complexity | 957.9857 |
Chemical Identifiers
| CAS Number | 861211-79-2 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C2=CC(=NO2)C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3G-079 (CAS 861211-79-2), with molecular formula C18H12ClF3N2O3 and molecular weight 396.05 g/mol. IUPAC: [[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-phenylmethyl] acetate.
Chemical Property Profile of 3G-079
Property Insights of 3G-079
The XLogP value of 5.0613 indicates that 3G-079 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-079. Following Lipinski's Rule of Five, 3G-079 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 3G-079?
The CAS number of 3G-079 is 861211-79-2.
What is the molecular formula of 3G-079?
The molecular formula of 3G-079 is C18H12ClF3N2O3.
What is the molecular weight of 3G-079?
The molecular weight of 3G-079 is 396.05 g/mol.
Where can I buy 3G-079?
You can request a quote for 3G-079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-079?
Yes, KEHONG BIO provides custom synthesis services for 3G-079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.