4G-054
TL;DR: 4G-054 (CAS 338420-37-4) is a chemical compound with molecular formula C14H10F3N7 and molecular weight 333.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-methylpyrrol-2-yl)-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: 4G-054, 3-(1-methyl-1H-pyrrol-2-yl)-8-(trifluoromethyl)pyrido[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine, 5-(1-methyl-1H-pyrrol-2-yl)-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-(1-methylpyrrol-2-yl)-12-(trifluoromethyl)-2,3,4,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-8-amine, 5-(1-methylpyrrol-2-yl)-12-(trifluoromethyl)-2,3,4,7,10-pentaazatricyclo[7.4.0.0(2),?]trideca-1(13),3,5,7,9,11-hexaen-8-amine
| Molecular Formula | C14H10F3N7 |
|---|---|
| Molecular Weight | 333.09 g/mol |
| LogP | 2.279 |
| Topological Polar Surface Area | 86.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 333.09497 |
| Heavy Atoms | 24 |
| Complexity | 1077.2899 |
Chemical Identifiers
| CAS Number | 338420-37-4 |
|---|---|
| SMILES | CN1C=CC=C1C2=C3N=C(C4=C(N3N=N2)C=C(C=N4)C(F)(F)F)N |
Product Overview
4G-054 (CAS 338420-37-4), with molecular formula C14H10F3N7 and molecular weight 333.09 g/mol. IUPAC: 5-(1-methylpyrrol-2-yl)-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 4G-054
Property Insights of 4G-054
The XLogP value of 2.279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4G-054. The TPSA of 86.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4G-054. Following Lipinski's Rule of Five, 4G-054 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 4G-054?
The CAS number of 4G-054 is 338420-37-4.
What is the molecular formula of 4G-054?
The molecular formula of 4G-054 is C14H10F3N7.
What is the molecular weight of 4G-054?
The molecular weight of 4G-054 is 333.09 g/mol.
Where can I buy 4G-054?
You can request a quote for 4G-054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4G-054?
Yes, KEHONG BIO provides custom synthesis services for 4G-054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.