1yc1
TL;DR: 1yc1 (CAS 374699-77-1) is a chemical compound with molecular formula C19H16N2O6 and molecular weight 368.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-3-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
Also Known As: 1yc1, 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, 4-(1,3-benzodioxol-5-yl)-5-(5-ethyl-2,4-dihydroxyphenyl)-1H-Pyrazole-3-carboxylic acid, 4-(1,3-benzodioxol-5-yl)-5-(3-ethyl-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxylic acid, 4-(1,3-Benzodioxol-5-yl)-3-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
| Molecular Formula | C19H16N2O6 |
|---|---|
| Molecular Weight | 368.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.10083 |
| Heavy Atoms | 27 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 374699-77-1 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1O)O)C2=NNC(=C2C3=CC4=C(C=C3)OCO4)C(=O)O |
| InChIKey | LCTWZJKHOGKNMX-UHFFFAOYSA-N |
Product Overview
1yc1 (CAS 374699-77-1), with molecular formula C19H16N2O6 and molecular weight 368.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-(5-ethyl-2,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 1yc1
Property Insights of 1yc1
The XLogP value of 3.3 indicates that 1yc1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1yc1. Following Lipinski's Rule of Five, 1yc1 has 4 hydrogen bond donor(s) and 7 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 1yc1?
The CAS number of 1yc1 is 374699-77-1.
What is the molecular formula of 1yc1?
The molecular formula of 1yc1 is C19H16N2O6.
What is the molecular weight of 1yc1?
The molecular weight of 1yc1 is 368.10 g/mol.
Where can I buy 1yc1?
You can request a quote for 1yc1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1yc1?
Yes, KEHONG BIO provides custom synthesis services for 1yc1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.