Aminophenazone gentisate
TL;DR: Aminophenazone gentisate (CAS 93841-78-2) is a chemical compound with molecular formula C20H23N3O5 and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroxybenzoic acid;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: Aminophenazone gentisate, Aminophenazone 2,5-dihydroxybenzoate, AMINOPHENAZONE GENTISATE [WHO-DD], AMINOPYRINE, COMPDS. WITH GENTISIC ACID, 2,5-Dihydroxybenzoic acid, compound with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:1)
| Molecular Formula | C20H23N3O5 |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 2.35 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.16376 |
| Heavy Atoms | 28 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 93841-78-2 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C.C1=CC(=C(C=C1O)C(=O)O)O |
| InChIKey | GQUQRKUQWVVIJY-UHFFFAOYSA-N |
Product Overview
Aminophenazone gentisate (CAS 93841-78-2), with molecular formula C20H23N3O5 and molecular weight 385.16 g/mol. IUPAC: 2,5-dihydroxybenzoic acid;4-(dimethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of Aminophenazone gentisate
Property Insights of Aminophenazone gentisate
The XLogP value of 2.35 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aminophenazone gentisate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aminophenazone gentisate. Following Lipinski's Rule of Five, Aminophenazone gentisate has 3 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 Aminophenazone gentisate?
The CAS number of Aminophenazone gentisate is 93841-78-2.
What is the molecular formula of Aminophenazone gentisate?
The molecular formula of Aminophenazone gentisate is C20H23N3O5.
What is the molecular weight of Aminophenazone gentisate?
The molecular weight of Aminophenazone gentisate is 385.16 g/mol.
Where can I buy Aminophenazone gentisate?
You can request a quote for Aminophenazone gentisate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aminophenazone gentisate?
Yes, KEHONG BIO provides custom synthesis services for Aminophenazone gentisate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.