3G-070
TL;DR: 3G-070 (CAS 338407-57-1) is a chemical compound with molecular formula C17H14ClF3N4O2 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-2-[(3,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridine
Also Known As: 3G-070, 3-Chloro-2-((3,4-dimethoxyphenyl)(1H-1,2,4-triazol-3-yl)methyl)-5-(trifluoromethyl)pyridine, 3-chloro-2-[(3,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridine, 3-chloro-2-[(3,4-dimethoxyphenyl)(1H-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)pyridine, 3-chloro-2-[(3,4-dimethoxyphenyl)-(2H-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)pyridine
| Molecular Formula | C17H14ClF3N4O2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.0693 |
| Topological Polar Surface Area | 72.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.07574 |
| Heavy Atoms | 27 |
| Complexity | 932.4231 |
Chemical Identifiers
| CAS Number | 338407-57-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(C2=C(C=C(C=N2)C(F)(F)F)Cl)C3=NC=NN3)OC |
Product Overview
3G-070 (CAS 338407-57-1), with molecular formula C17H14ClF3N4O2 and molecular weight 398.08 g/mol. IUPAC: 3-chloro-2-[(3,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]-5-(trifluoromethyl)pyridine.
Chemical Property Profile of 3G-070
Property Insights of 3G-070
The XLogP value of 4.0693 indicates that 3G-070 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3G-070. Following Lipinski's Rule of Five, 3G-070 has 1 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-070?
The CAS number of 3G-070 is 338407-57-1.
What is the molecular formula of 3G-070?
The molecular formula of 3G-070 is C17H14ClF3N4O2.
What is the molecular weight of 3G-070?
The molecular weight of 3G-070 is 398.08 g/mol.
Where can I buy 3G-070?
You can request a quote for 3G-070 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3G-070?
Yes, KEHONG BIO provides custom synthesis services for 3G-070 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.