1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime
TL;DR: 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime (CAS 21487-46-7) is a chemical compound with molecular formula C16H13N3O and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine
Also Known As: BAS 00685534, 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime, N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine, N-[(1,3-diphenyl-1H-pyrazol-4-yl)methylidene]hydroxylamine
| Molecular Formula | C16H13N3O |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.10587 |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 21487-46-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(C=C2C=NO)C3=CC=CC=C3 |
| InChIKey | RPVYGTLXZZVPHJ-UHFFFAOYSA-N |
Product Overview
1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime (CAS 21487-46-7), with molecular formula C16H13N3O and molecular weight 263.11 g/mol. IUPAC: N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine.
Chemical Property Profile of 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime
Property Insights of 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime
The XLogP value of 3.3 indicates that 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime has 1 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 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime?
The CAS number of 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime is 21487-46-7.
What is the molecular formula of 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime?
The molecular formula of 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime is C16H13N3O.
What is the molecular weight of 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime?
The molecular weight of 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime is 263.11 g/mol.
Where can I buy 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime?
You can request a quote for 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diphenyl-1H-pyrazole-4-carboxaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.