3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde (CAS 350997-69-2) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde
Also Known As: 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde, 3-(3,4-Dimethoxy-phenyl)-1H-pyrazole-4-carbaldehyde, TIMTEC-BB SBB006509, 5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde, 3- -1H-PYRAZOLE-4-CARBALDEHYDE
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 350997-69-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C=NN2)C=O)OC |
| InChIKey | MVOHBLRFSWSWBD-UHFFFAOYSA-N |
Product Overview
3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde (CAS 350997-69-2), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde.
Chemical Property Profile of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde. Following Lipinski's Rule of Five, 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde has 1 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 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde is 350997-69-2.
What is the molecular formula of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde is C12H12N2O3.
What is the molecular weight of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde is 232.08 g/mol.
Where can I buy 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 3-(3,4-dimethoxyphenyl)-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 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.