C17H12BrClN4O
TL;DR: C17H12BrClN4O (CAS 1285685-04-2) is a chemical compound with molecular formula C17H12BrClN4O and molecular weight 401.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-bromophenyl)methylideneamino]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
Also Known As: BAS 01859140, N'-[(E)-(4-bromophenyl)methylidene]-3-(2-chlorophenyl)-1H-pyrazole-5-carbohydrazide, (E)-N'-(4-bromobenzylidene)-3-(2-chlorophenyl)-1H-pyrazole-5-carbohydrazide, N-[(1E)-2-(4-bromophenyl)-1-azavinyl][3-(2-chlorophenyl)pyrazol-5-yl]carboxami de
| Molecular Formula | C17H12BrClN4O |
|---|---|
| Molecular Weight | 401.99 g/mol |
| LogP | 4.2565 |
| Topological Polar Surface Area | 70.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.9883 |
| Heavy Atoms | 24 |
| Complexity | 889.616 |
Chemical Identifiers
| CAS Number | 1285685-04-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)Br)Cl |
Product Overview
C17H12BrClN4O (CAS 1285685-04-2), with molecular formula C17H12BrClN4O and molecular weight 401.99 g/mol. IUPAC: N-[(E)-(4-bromophenyl)methylideneamino]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide.
Chemical Property Profile of C17H12BrClN4O
Property Insights of C17H12BrClN4O
The XLogP value of 4.2565 indicates that C17H12BrClN4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.14 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H12BrClN4O. Following Lipinski's Rule of Five, C17H12BrClN4O has 2 hydrogen bond donor(s) and 3 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 C17H12BrClN4O?
The CAS number of C17H12BrClN4O is 1285685-04-2.
What is the molecular formula of C17H12BrClN4O?
The molecular formula of C17H12BrClN4O is C17H12BrClN4O.
What is the molecular weight of C17H12BrClN4O?
The molecular weight of C17H12BrClN4O is 401.99 g/mol.
Where can I buy C17H12BrClN4O?
You can request a quote for C17H12BrClN4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H12BrClN4O?
Yes, KEHONG BIO provides custom synthesis services for C17H12BrClN4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.