AB00098719-01
TL;DR: AB00098719-01 (CAS 5838-12-0) is a chemical compound with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4E)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid
Also Known As: AB00098719-01, 4-[(4E)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid, 4-[3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzoic Acid, 4-{(4E)-3-Methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
| Molecular Formula | C21H20N2O6 |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.2167 |
| Topological Polar Surface Area | 97.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.13214 |
| Heavy Atoms | 29 |
| Complexity | 998.962 |
Chemical Identifiers
| CAS Number | 5838-12-0 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(C=C3)C(=O)O |
Product Overview
AB00098719-01 (CAS 5838-12-0), with molecular formula C21H20N2O6 and molecular weight 396.13 g/mol. IUPAC: 4-[(4E)-3-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methylidene]pyrazol-1-yl]benzoic acid.
Chemical Property Profile of AB00098719-01
Property Insights of AB00098719-01
The XLogP value of 3.2167 indicates that AB00098719-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098719-01. Following Lipinski's Rule of Five, AB00098719-01 has 1 hydrogen bond donor(s) and 6 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 AB00098719-01?
The CAS number of AB00098719-01 is 5838-12-0.
What is the molecular formula of AB00098719-01?
The molecular formula of AB00098719-01 is C21H20N2O6.
What is the molecular weight of AB00098719-01?
The molecular weight of AB00098719-01 is 396.13 g/mol.
Where can I buy AB00098719-01?
You can request a quote for AB00098719-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098719-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098719-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.