1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
TL;DR: 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole (CAS 304664-01-5) is a chemical compound with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
Also Known As: 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole, BAS 03027654, (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone, (3,4-dimethoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone, 3,4-dimethoxyphenyl 3,5-dimethylpyrazolyl ketone
| Molecular Formula | C14H16N2O3 |
|---|---|
| Molecular Weight | 260.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.1161 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 304664-01-5 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)C2=CC(=C(C=C2)OC)OC)C |
| InChIKey | HQUSXGZKUOWKDF-UHFFFAOYSA-N |
Product Overview
1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole (CAS 304664-01-5), with molecular formula C14H16N2O3 and molecular weight 260.12 g/mol. IUPAC: (3,4-dimethoxyphenyl)-(3,5-dimethylpyrazol-1-yl)methanone.
Chemical Property Profile of 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
Property Insights of 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 53.4 Ų, 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole 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-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole is 304664-01-5.
What is the molecular formula of 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole is C14H16N2O3.
What is the molecular weight of 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole is 260.12 g/mol.
Where can I buy 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.