RefChem:489968
TL;DR: RefChem:489968 (CAS 618098-94-5) is a chemical compound with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
Also Known As: 3-(2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)-1-P-TOLYL-1H-PYRAZOLE-4-CARBALDEHYDE, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde, 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-1-(p-tolyl)-1H-pyrazole-4-carbaldehyde, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde, 3-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde
| Molecular Formula | C19H16N2O3 |
|---|---|
| Molecular Weight | 320.12 g/mol |
| LogP | 3.43142 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.1161 |
| Heavy Atoms | 24 |
| Complexity | 897.4754 |
Chemical Identifiers
| CAS Number | 618098-94-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=C(C=C3)OCCO4)C=O |
Product Overview
RefChem:489968 (CAS 618098-94-5), with molecular formula C19H16N2O3 and molecular weight 320.12 g/mol. IUPAC: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-4-carbaldehyde.
Chemical Property Profile of RefChem:489968
Property Insights of RefChem:489968
The XLogP value of 3.43142 indicates that RefChem:489968 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.35 Ų, RefChem:489968 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:489968 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 RefChem:489968?
The CAS number of RefChem:489968 is 618098-94-5.
What is the molecular formula of RefChem:489968?
The molecular formula of RefChem:489968 is C19H16N2O3.
What is the molecular weight of RefChem:489968?
The molecular weight of RefChem:489968 is 320.12 g/mol.
Where can I buy RefChem:489968?
You can request a quote for RefChem:489968 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:489968?
Yes, KEHONG BIO provides custom synthesis services for RefChem:489968 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.