C22H19N3O7S
TL;DR: C22H19N3O7S (CAS 72796-92-0) is a chemical compound with molecular formula C22H19N3O7S and molecular weight 469.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid
Also Known As: 3(2H)-Benzoxazolepropanoic acid, 2-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]ethylidene]-, 2-(2-(3-Methyl-5-oxo-1-(4-sulfophenyl)-2-pyrazolin-4-ylidene)ethylidene)-3-benzoxazolinepropionic acid, 3(2H)-Benzoxazolepropanoic acid, 2-((1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-, 3(2H)-Benzoxazolepropanoic acid, 2-(2-(1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene)ethylidene)-, 3-[(2Z)-2-[(2Z)-2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]ethylidene]benzooxazol-3-yl]propanoic acid
| Molecular Formula | C22H19N3O7S |
|---|---|
| Molecular Weight | 469.09 g/mol |
| LogP | 2.7973 |
| Topological Polar Surface Area | 136.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.09436 |
| Heavy Atoms | 33 |
| Complexity | 1328.0131 |
Chemical Identifiers
| CAS Number | 72796-92-0 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC=C2N(C3=CC=CC=C3O2)CCC(=O)O)C4=CC=C(C=C4)S(=O)(=O)O |
Product Overview
C22H19N3O7S (CAS 72796-92-0), with molecular formula C22H19N3O7S and molecular weight 469.09 g/mol. IUPAC: 3-[2-[2-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]ethylidene]-1,3-benzoxazol-3-yl]propanoic acid.
Chemical Property Profile of C22H19N3O7S
Property Insights of C22H19N3O7S
The XLogP value of 2.7973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H19N3O7S. The TPSA of 136.81 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H19N3O7S. Following Lipinski's Rule of Five, C22H19N3O7S has 2 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 C22H19N3O7S?
The CAS number of C22H19N3O7S is 72796-92-0.
What is the molecular formula of C22H19N3O7S?
The molecular formula of C22H19N3O7S is C22H19N3O7S.
What is the molecular weight of C22H19N3O7S?
The molecular weight of C22H19N3O7S is 469.09 g/mol.
Where can I buy C22H19N3O7S?
You can request a quote for C22H19N3O7S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H19N3O7S?
Yes, KEHONG BIO provides custom synthesis services for C22H19N3O7S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.