C28H21FN6O
TL;DR: C28H21FN6O (CAS 861109-64-0) is a chemical compound with molecular formula C28H21FN6O and molecular weight 476.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[(E)-(4-fluorophenyl)methylideneamino]-14-methyl-13-(2-phenylethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: (E)-11-((4-fluorobenzylidene)amino)-2-methyl-3-phenethyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-{[(E)-(4-fluorophenyl)methylidene]amino}-2-methyl-3-(2-phenylethyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C28H21FN6O |
|---|---|
| Molecular Weight | 476.18 g/mol |
| LogP | 4.86682 |
| Topological Polar Surface Area | 77.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.1761 |
| Heavy Atoms | 36 |
| Complexity | 1821.573 |
Chemical Identifiers
| CAS Number | 861109-64-0 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC=C(C=C5)F)C(=O)N1CCC6=CC=CC=C6 |
Product Overview
C28H21FN6O (CAS 861109-64-0), with molecular formula C28H21FN6O and molecular weight 476.18 g/mol. IUPAC: 17-[(E)-(4-fluorophenyl)methylideneamino]-14-methyl-13-(2-phenylethyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of C28H21FN6O
Property Insights of C28H21FN6O
The XLogP value of 4.86682 indicates that C28H21FN6O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H21FN6O. Following Lipinski's Rule of Five, C28H21FN6O has 0 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 C28H21FN6O?
The CAS number of C28H21FN6O is 861109-64-0.
What is the molecular formula of C28H21FN6O?
The molecular formula of C28H21FN6O is C28H21FN6O.
What is the molecular weight of C28H21FN6O?
The molecular weight of C28H21FN6O is 476.18 g/mol.
Where can I buy C28H21FN6O?
You can request a quote for C28H21FN6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H21FN6O?
Yes, KEHONG BIO provides custom synthesis services for C28H21FN6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.