![compound 1a [PMID: 27184081] structure](/static/products/3746/374699-18-0.webp)
compound 1a [PMID: 27184081]
TL;DR: compound 1a [PMID: 27184081] (CAS 374699-18-0) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol
Also Known As: compound 1a [PMID: 27184081], 4-(4-(4-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl)benzene-1,3-diol, 4-[4-(4-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-1,3-Benzenediol, 4-[4-(4-ETHOXYPHENOXY)-5-METHYL-1H-PYRAZOL-3-YL]BENZENE-1,3-DIOL, (4E)-4-[4-(4-ethoxyphenoxy)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-hydroxycyclohexa-2,5-dien-1-one
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 3.98732 |
| Topological Polar Surface Area | 87.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 840.72516 |
Chemical Identifiers
| CAS Number | 374699-18-0 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)OC2=C(NN=C2C3=C(C=C(C=C3)O)O)C |
Product Overview
compound 1a [PMID: 27184081] (CAS 374699-18-0), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: 4-[4-(4-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol.
Chemical Property Profile of compound 1a [PMID: 27184081]
Property Insights of compound 1a [PMID: 27184081]
The XLogP value of 3.98732 indicates that compound 1a [PMID: 27184081] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for compound 1a [PMID: 27184081]. Following Lipinski's Rule of Five, compound 1a [PMID: 27184081] has 3 hydrogen bond donor(s) and 5 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 compound 1a [PMID: 27184081]?
The CAS number of compound 1a [PMID: 27184081] is 374699-18-0.
What is the molecular formula of compound 1a [PMID: 27184081]?
The molecular formula of compound 1a [PMID: 27184081] is C18H18N2O4.
What is the molecular weight of compound 1a [PMID: 27184081]?
The molecular weight of compound 1a [PMID: 27184081] is 326.13 g/mol.
Where can I buy compound 1a [PMID: 27184081]?
You can request a quote for compound 1a [PMID: 27184081] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for compound 1a [PMID: 27184081]?
Yes, KEHONG BIO provides custom synthesis services for compound 1a [PMID: 27184081] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.