Antipyrine, 4-(9H-purin-6-ylamino)-
TL;DR: Antipyrine, 4-(9H-purin-6-ylamino)- (CAS 52972-57-3) is a chemical compound with molecular formula C16H15N7O and molecular weight 321.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)pyrazol-3-one
Also Known As: 4-(9H-Purin-6-ylamino)antipyrine, ANTIPYRINE, 4-(9H-PURIN-6-YLAMINO)-, 1-Phenyl-2,3-dimethyl-4-(6'-purinylamino)pyrazolone-5, 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)pyrazol-3-one, 2,3-dimethyl-1-phenyl-4-(purin-6-ylamino)-3-pyrazolin-5-one
| Molecular Formula | C16H15N7O |
|---|---|
| Molecular Weight | 321.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.13382 |
| Heavy Atoms | 24 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 52972-57-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC=NC4=C3NC=N4 |
| InChIKey | WIABVEKXPPUCOJ-UHFFFAOYSA-N |
Product Overview
Antipyrine, 4-(9H-purin-6-ylamino)- (CAS 52972-57-3), with molecular formula C16H15N7O and molecular weight 321.13 g/mol. IUPAC: 1,5-dimethyl-2-phenyl-4-(7H-purin-6-ylamino)pyrazol-3-one.
Chemical Property Profile of Antipyrine, 4-(9H-purin-6-ylamino)-
Property Insights of Antipyrine, 4-(9H-purin-6-ylamino)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Antipyrine, 4-(9H-purin-6-ylamino)-. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Antipyrine, 4-(9H-purin-6-ylamino)-. Following Lipinski's Rule of Five, Antipyrine, 4-(9H-purin-6-ylamino)- has 2 hydrogen bond donor(s) and 6 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 Antipyrine, 4-(9H-purin-6-ylamino)-?
The CAS number of Antipyrine, 4-(9H-purin-6-ylamino)- is 52972-57-3.
What is the molecular formula of Antipyrine, 4-(9H-purin-6-ylamino)-?
The molecular formula of Antipyrine, 4-(9H-purin-6-ylamino)- is C16H15N7O.
What is the molecular weight of Antipyrine, 4-(9H-purin-6-ylamino)-?
The molecular weight of Antipyrine, 4-(9H-purin-6-ylamino)- is 321.13 g/mol.
Where can I buy Antipyrine, 4-(9H-purin-6-ylamino)-?
You can request a quote for Antipyrine, 4-(9H-purin-6-ylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Antipyrine, 4-(9H-purin-6-ylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Antipyrine, 4-(9H-purin-6-ylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.