C22H15BrN6O
TL;DR: C22H15BrN6O (CAS 861109-55-9) is a chemical compound with molecular formula C22H15BrN6O and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[(E)-(3-bromophenyl)methylideneamino]-13-prop-2-enyl-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)-3-allyl-11-((3-bromobenzylidene)amino)-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 11-{[(E)-(3-bromophenyl)methylidene]amino}-3-(prop-2-en-1-yl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C22H15BrN6O |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 4.1251 |
| Topological Polar Surface Area | 77.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.04907 |
| Heavy Atoms | 30 |
| Complexity | 1532.0806 |
Chemical Identifiers
| CAS Number | 861109-55-9 |
|---|---|
| SMILES | C=CCN1C=NC2=C(C1=O)C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC(=CC=C5)Br |
Product Overview
C22H15BrN6O (CAS 861109-55-9), with molecular formula C22H15BrN6O and molecular weight 458.05 g/mol. IUPAC: 17-[(E)-(3-bromophenyl)methylideneamino]-13-prop-2-enyl-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 C22H15BrN6O
Property Insights of C22H15BrN6O
The XLogP value of 4.1251 indicates that C22H15BrN6O 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 C22H15BrN6O. Following Lipinski's Rule of Five, C22H15BrN6O 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 C22H15BrN6O?
The CAS number of C22H15BrN6O is 861109-55-9.
What is the molecular formula of C22H15BrN6O?
The molecular formula of C22H15BrN6O is C22H15BrN6O.
What is the molecular weight of C22H15BrN6O?
The molecular weight of C22H15BrN6O is 458.05 g/mol.
Where can I buy C22H15BrN6O?
You can request a quote for C22H15BrN6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H15BrN6O?
Yes, KEHONG BIO provides custom synthesis services for C22H15BrN6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.