RefChem:565945
TL;DR: RefChem:565945 (CAS 64137-49-1) is a chemical compound with molecular formula C27H22N4O6 and molecular weight 498.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid
Also Known As: Benzoic acid, 4-[4-[5-[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]-, 4-[4-[5-[1-(4-CARBOXYPHENYL)-1,5-DIHYDRO-3-METHYL-5-OXO-4H-PYRAZOLE-4-YLIDENE]-1,3-PENTADIENYL]-5-HYDROXY-3-METHYL-1H-PYRAZOLE-1-YL]BENZOIC ACID, 4-[4-[5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid, 4-[4-[5-[1-(4-Carboxyphenyl)-5-hydroxy-3-methyl-1H-pyrazole-4-yl]-2,4-pentadiene-1-ylidene]-3-methyl-5-oxo-1H-pyrazole-1-yl]benzoic acid, Benzoic acid,4-[4-[5-[1-(4-carboxyphenyl)-1,5-dihydro-3-methyl-5-oxo-4H-pyrazol-4-ylidene]-1,3-pentadien-1-yl]-5-hydroxy-3-methyl-1H-pyrazol-1-yl]
| Molecular Formula | C27H22N4O6 |
|---|---|
| Molecular Weight | 498.15 g/mol |
| LogP | 3.78892 |
| Topological Polar Surface Area | 145.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.15393 |
| Heavy Atoms | 37 |
| Complexity | 1568.2285 |
Chemical Identifiers
| CAS Number | 64137-49-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)C(=O)O)C=CC=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)C(=O)O)C |
Product Overview
RefChem:565945 (CAS 64137-49-1), with molecular formula C27H22N4O6 and molecular weight 498.15 g/mol. IUPAC: 4-[4-[5-[1-(4-carboxyphenyl)-3-methyl-5-oxopyrazol-4-ylidene]penta-1,3-dienyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzoic acid.
Chemical Property Profile of RefChem:565945
Property Insights of RefChem:565945
The XLogP value of 3.78892 indicates that RefChem:565945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.06 Ų indicates high polarity, suggesting RefChem:565945 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:565945 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 RefChem:565945?
The CAS number of RefChem:565945 is 64137-49-1.
What is the molecular formula of RefChem:565945?
The molecular formula of RefChem:565945 is C27H22N4O6.
What is the molecular weight of RefChem:565945?
The molecular weight of RefChem:565945 is 498.15 g/mol.
Where can I buy RefChem:565945?
You can request a quote for RefChem:565945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:565945?
Yes, KEHONG BIO provides custom synthesis services for RefChem:565945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.