Chemical Compound (C21H15BrN4O2)
TL;DR: Chemical Compound (C21H15BrN4O2) (CAS 5706-01-4) is a chemical compound with molecular formula C21H15BrN4O2 and molecular weight 434.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide
| Molecular Formula | C21H15BrN4O2 |
|---|---|
| Molecular Weight | 434.04 g/mol |
| LogP | 4.4619 |
| Topological Polar Surface Area | 90.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.03784 |
| Heavy Atoms | 28 |
| Complexity | 1199.9675 |
Chemical Identifiers
| CAS Number | 5706-01-4 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)C3=NNC(=C3)C(=O)NN=CC4=C(C=CC(=C4)Br)O |
Product Overview
Chemical Compound (C21H15BrN4O2) (CAS 5706-01-4), with molecular formula C21H15BrN4O2 and molecular weight 434.04 g/mol. IUPAC: N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-naphthalen-2-yl-1H-pyrazole-5-carboxamide.
Chemical Property Profile of Chemical Compound (C21H15BrN4O2)
Property Insights of Chemical Compound (C21H15BrN4O2)
The XLogP value of 4.4619 indicates that Chemical Compound (C21H15BrN4O2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Chemical Compound (C21H15BrN4O2). Following Lipinski's Rule of Five, Chemical Compound (C21H15BrN4O2) has 3 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 Chemical Compound (C21H15BrN4O2)?
The CAS number of Chemical Compound (C21H15BrN4O2) is 5706-01-4.
What is the molecular formula of Chemical Compound (C21H15BrN4O2)?
The molecular formula of Chemical Compound (C21H15BrN4O2) is C21H15BrN4O2.
What is the molecular weight of Chemical Compound (C21H15BrN4O2)?
The molecular weight of Chemical Compound (C21H15BrN4O2) is 434.04 g/mol.
Where can I buy Chemical Compound (C21H15BrN4O2)?
You can request a quote for Chemical Compound (C21H15BrN4O2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chemical Compound (C21H15BrN4O2)?
Yes, KEHONG BIO provides custom synthesis services for Chemical Compound (C21H15BrN4O2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.