1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-
TL;DR: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl- (CAS 96734-47-3) is a chemical compound with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(diethylsulfamoyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid
Also Known As: 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-, 1-[4-(Diethylsulfamoyl)phenyl]-5-phenyl-1H-pyrazole-3,4-dicarboxylic acid, 1-[4-(diethylsulfamoyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid
| Molecular Formula | C21H21N3O6S |
|---|---|
| Molecular Weight | 443.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.1151 |
| Heavy Atoms | 31 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 96734-47-3 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=C3 |
| InChIKey | MRLLZBYTSIQPTQ-UHFFFAOYSA-N |
Product Overview
1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl- (CAS 96734-47-3), with molecular formula C21H21N3O6S and molecular weight 443.12 g/mol. IUPAC: 1-[4-(diethylsulfamoyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid.
Chemical Property Profile of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-
Property Insights of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-. Following Lipinski's Rule of Five, 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl- has 2 hydrogen bond donor(s) and 8 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 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-?
The CAS number of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl- is 96734-47-3.
What is the molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-?
The molecular formula of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl- is C21H21N3O6S.
What is the molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-?
The molecular weight of 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl- is 443.12 g/mol.
Where can I buy 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-?
You can request a quote for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1h-pyrazole-3,4-dicarboxylic Acid, 1-(4-(diethylaminosulfonyl)phenyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.