C17H16BrClN6O2
TL;DR: C17H16BrClN6O2 (CAS 322409-19-8) is a chemical compound with molecular formula C17H16BrClN6O2 and molecular weight 450.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00390247, 8-((E)-2-(4-bromobenzylidene)hydrazinyl)-7-((Z)-3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[(2E)-2-(4-bromobenzylidene)hydrazinyl]-7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione, 8-{[(1E)-2-(4-bromophenyl)-1-azavinyl]amino}-7-((2Z)-3-chlorobut-2-enyl)-3-met hyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C17H16BrClN6O2 |
|---|---|
| Molecular Weight | 450.02 g/mol |
| LogP | 2.7744 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.02066 |
| Heavy Atoms | 27 |
| Complexity | 1153.1108 |
Chemical Identifiers
| CAS Number | 322409-19-8 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1N/N=C/C3=CC=C(C=C3)Br)N(C(=O)NC2=O)C)/Cl |
Product Overview
C17H16BrClN6O2 (CAS 322409-19-8), with molecular formula C17H16BrClN6O2 and molecular weight 450.02 g/mol. IUPAC: 8-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-7-[(Z)-3-chlorobut-2-enyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of C17H16BrClN6O2
Property Insights of C17H16BrClN6O2
The XLogP value of 2.7744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H16BrClN6O2. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H16BrClN6O2. Following Lipinski's Rule of Five, C17H16BrClN6O2 has 2 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 C17H16BrClN6O2?
The CAS number of C17H16BrClN6O2 is 322409-19-8.
What is the molecular formula of C17H16BrClN6O2?
The molecular formula of C17H16BrClN6O2 is C17H16BrClN6O2.
What is the molecular weight of C17H16BrClN6O2?
The molecular weight of C17H16BrClN6O2 is 450.02 g/mol.
Where can I buy C17H16BrClN6O2?
You can request a quote for C17H16BrClN6O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16BrClN6O2?
Yes, KEHONG BIO provides custom synthesis services for C17H16BrClN6O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.