EINECS 249-512-8
TL;DR: EINECS 249-512-8 (CAS 29212-95-1) is a chemical compound with molecular formula C23H16N4O6 and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(5-carboxy-3-oxo-2-phenyl-1H-pyrazol-4-yl)prop-2-enylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid
Also Known As: EINECS 249-512-8, 1H-Pyrazole-3-carboxylicacid,4-[3-(3-carboxy-1,5-dihydro-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-1-propen-1-yl]-5-hydroxy-1-phenyl-, 4-(3-(4-Carboxy-2-hydroxy-1-phenyl-1H-pyrrol-3-yl)allylidene)-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylic acid, 4-[3-(3-carboxy-5-hydroxy-1-phenyl-1h-pyrazol-4-yl)-2-propenylidene]-4,5-dihydro-5-oxo-1-phenyl-1h-pyrazole-3-carboxylic acid, 4-[3-(4-CARBOXY-2-HYDROXY-1-PHENYL-1H-PYRROL-3-YL)ALLYLIDENE]-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
| Molecular Formula | C23H16N4O6 |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 2.2908 |
| Topological Polar Surface Area | 145.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.107 |
| Heavy Atoms | 33 |
| Complexity | 1397.7083 |
Chemical Identifiers
| CAS Number | 29212-95-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(=O)O)C=CC=C3C(=NN(C3=O)C4=CC=CC=C4)C(=O)O |
Product Overview
EINECS 249-512-8 (CAS 29212-95-1), with molecular formula C23H16N4O6 and molecular weight 444.11 g/mol. IUPAC: 4-[3-(5-carboxy-3-oxo-2-phenyl-1H-pyrazol-4-yl)prop-2-enylidene]-5-oxo-1-phenylpyrazole-3-carboxylic acid.
Chemical Property Profile of EINECS 249-512-8
Property Insights of EINECS 249-512-8
The XLogP value of 2.2908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 249-512-8. The TPSA of 145.06 Ų indicates high polarity, suggesting EINECS 249-512-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 249-512-8 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 EINECS 249-512-8?
The CAS number of EINECS 249-512-8 is 29212-95-1.
What is the molecular formula of EINECS 249-512-8?
The molecular formula of EINECS 249-512-8 is C23H16N4O6.
What is the molecular weight of EINECS 249-512-8?
The molecular weight of EINECS 249-512-8 is 444.11 g/mol.
Where can I buy EINECS 249-512-8?
You can request a quote for EINECS 249-512-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 249-512-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 249-512-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.