RefChem:424987
TL;DR: RefChem:424987 (CAS 618099-06-2) is a chemical compound with molecular formula C18H13BrN2O3 and molecular weight 384.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carbaldehyde
Also Known As: 1-(4-bromophenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-1h-pyrazole-4-carbaldehyde, 1-(4-Bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxaldehyde, 1-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carbaldehyde, 1-(4-BROMOPHENYL)-3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1H-PYRAZOLE-4-CARBALDEHYDE, 1-(4-bromophenyl)-3-(7,10-dioxabicyclo[4.4.0]deca-2,4,11-trien-3-yl)pyrazole-4-carbaldehyde
| Molecular Formula | C18H13BrN2O3 |
|---|---|
| Molecular Weight | 384.01 g/mol |
| LogP | 3.8855 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 384.01096 |
| Heavy Atoms | 24 |
| Complexity | 903.1274 |
Chemical Identifiers
| CAS Number | 618099-06-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=O)C4=CC=C(C=C4)Br |
Product Overview
RefChem:424987 (CAS 618099-06-2), with molecular formula C18H13BrN2O3 and molecular weight 384.01 g/mol. IUPAC: 1-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carbaldehyde.
Chemical Property Profile of RefChem:424987
Property Insights of RefChem:424987
The XLogP value of 3.8855 indicates that RefChem:424987 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:424987 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:424987 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:424987?
The CAS number of RefChem:424987 is 618099-06-2.
What is the molecular formula of RefChem:424987?
The molecular formula of RefChem:424987 is C18H13BrN2O3.
What is the molecular weight of RefChem:424987?
The molecular weight of RefChem:424987 is 384.01 g/mol.
Where can I buy RefChem:424987?
You can request a quote for RefChem:424987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:424987?
Yes, KEHONG BIO provides custom synthesis services for RefChem:424987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.