BAS 02928869
TL;DR: BAS 02928869 (CAS 333746-47-7) is a chemical compound with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[[4-(carboxymethoxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
Also Known As: BAS 02928869, 4-[4-[[4-(Carboxymethoxy)-3-ethoxyphenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzoic acid, 4-[4-[[4-(carboxymethyloxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
| Molecular Formula | C22H20N2O7 |
|---|---|
| Molecular Weight | 424.13 g/mol |
| LogP | 3.053 |
| Topological Polar Surface Area | 125.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.12704 |
| Heavy Atoms | 31 |
| Complexity | 1087.5383 |
Chemical Identifiers
| CAS Number | 333746-47-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OCC(=O)O |
Product Overview
BAS 02928869 (CAS 333746-47-7), with molecular formula C22H20N2O7 and molecular weight 424.13 g/mol. IUPAC: 4-[4-[[4-(carboxymethoxy)-3-ethoxyphenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid.
Chemical Property Profile of BAS 02928869
Property Insights of BAS 02928869
The XLogP value of 3.053 indicates that BAS 02928869 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.73 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02928869. Following Lipinski's Rule of Five, BAS 02928869 has 2 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 BAS 02928869?
The CAS number of BAS 02928869 is 333746-47-7.
What is the molecular formula of BAS 02928869?
The molecular formula of BAS 02928869 is C22H20N2O7.
What is the molecular weight of BAS 02928869?
The molecular weight of BAS 02928869 is 424.13 g/mol.
Where can I buy BAS 02928869?
You can request a quote for BAS 02928869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02928869?
Yes, KEHONG BIO provides custom synthesis services for BAS 02928869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.