Bionet1_000786
TL;DR: Bionet1_000786 (CAS 338420-45-4) is a chemical compound with molecular formula C15H7ClF4N6 and molecular weight 382.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloro-6-fluorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-8-amine
Also Known As: Bionet1_000786, 3-(2-chloro-6-fluorophenyl)-8-(trifluoromethyl)pyrido[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine, 4G-058, 5-(2-chloro-6-fluorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-8-amine, 5-(2-chloro-6-fluorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-8-amine
| Molecular Formula | C15H7ClF4N6 |
|---|---|
| Molecular Weight | 382.04 g/mol |
| LogP | 3.733 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 382.03568 |
| Heavy Atoms | 26 |
| Complexity | 1150.179 |
Chemical Identifiers
| CAS Number | 338420-45-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2=C3N=C(C4=C(N3N=N2)C=C(C=N4)C(F)(F)F)N)F |
Product Overview
Bionet1_000786 (CAS 338420-45-4), with molecular formula C15H7ClF4N6 and molecular weight 382.04 g/mol. IUPAC: 5-(2-chloro-6-fluorophenyl)-12-(trifluoromethyl)-2,3,4,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-8-amine.
Chemical Property Profile of Bionet1_000786
Property Insights of Bionet1_000786
The XLogP value of 3.733 indicates that Bionet1_000786 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000786. Following Lipinski's Rule of Five, Bionet1_000786 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 Bionet1_000786?
The CAS number of Bionet1_000786 is 338420-45-4.
What is the molecular formula of Bionet1_000786?
The molecular formula of Bionet1_000786 is C15H7ClF4N6.
What is the molecular weight of Bionet1_000786?
The molecular weight of Bionet1_000786 is 382.04 g/mol.
Where can I buy Bionet1_000786?
You can request a quote for Bionet1_000786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000786?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.