1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde
TL;DR: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde (CAS 956508-53-5) is a chemical compound with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carbaldehyde
Also Known As: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde, 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carbaldehyde
| Molecular Formula | C20H18N2O3 |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 3.5722 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.13174 |
| Heavy Atoms | 25 |
| Complexity | 887.21185 |
Chemical Identifiers
| CAS Number | 956508-53-5 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)C3=NN(C=C3C=O)CC4=CC=CC=C4)OC1 |
Product Overview
1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde (CAS 956508-53-5), with molecular formula C20H18N2O3 and molecular weight 334.13 g/mol. IUPAC: 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carbaldehyde.
Chemical Property Profile of 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde
Property Insights of 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 3.5722 indicates that 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde 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 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde is 956508-53-5.
What is the molecular formula of 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde is C20H18N2O3.
What is the molecular weight of 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde is 334.13 g/mol.
Where can I buy 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.