C16H11BrN6O
TL;DR: C16H11BrN6O (CAS 1024232-73-2) is a chemical compound with molecular formula C16H11BrN6O and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
Also Known As: 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-1H-imidazole-4,5-dicarbonitrile, 1-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile, 1-((4-BROMO-2-METHYL-5-OXO-1-PHENYL-3-PYRAZOLIN-3-YL)METHYL)IMIDAZOLE-4,5-DICARBONITRILE, 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile, 1-(4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl-1H-imidazole-4,5-dicarbonitrile
| Molecular Formula | C16H11BrN6O |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 1.92666 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.01776 |
| Heavy Atoms | 24 |
| Complexity | 1045.4014 |
Chemical Identifiers
| CAS Number | 1024232-73-2 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CN3C=NC(=C3C#N)C#N |
Product Overview
C16H11BrN6O (CAS 1024232-73-2), with molecular formula C16H11BrN6O and molecular weight 382.02 g/mol. IUPAC: 1-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile.
Chemical Property Profile of C16H11BrN6O
Property Insights of C16H11BrN6O
The XLogP value of 1.92666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C16H11BrN6O. The TPSA of 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H11BrN6O. Following Lipinski's Rule of Five, C16H11BrN6O has 0 hydrogen bond donor(s) and 4 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 C16H11BrN6O?
The CAS number of C16H11BrN6O is 1024232-73-2.
What is the molecular formula of C16H11BrN6O?
The molecular formula of C16H11BrN6O is C16H11BrN6O.
What is the molecular weight of C16H11BrN6O?
The molecular weight of C16H11BrN6O is 382.02 g/mol.
Where can I buy C16H11BrN6O?
You can request a quote for C16H11BrN6O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H11BrN6O?
Yes, KEHONG BIO provides custom synthesis services for C16H11BrN6O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.