Dibupyrone
TL;DR: Dibupyrone (CAS 772990-64-4) is a chemical compound with molecular formula C16H23N3O4S and molecular weight 353.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylpropyl)amino]methanesulfonic acid
Also Known As: Dibupyrone, [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)(2-methylpropyl)amino]methanesulfonic acid, 1-[(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)(2-methylpropyl)amino]methanesulfonic acid, [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-(2-methylpropyl)amino]methanesulfonic Acid, [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylpropyl)amino]methanesulfonic acid
| Molecular Formula | C16H23N3O4S |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.14093 |
| Heavy Atoms | 24 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 772990-64-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CC(C)C)CS(=O)(=O)O |
| InChIKey | PGKKQZJGHZAMDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibupyrone (CAS 772990-64-4), with molecular formula C16H23N3O4S and molecular weight 353.14 g/mol. IUPAC: [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(2-methylpropyl)amino]methanesulfonic acid.
Chemical Property Profile of Dibupyrone
Property Insights of Dibupyrone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibupyrone. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibupyrone. Following Lipinski's Rule of Five, Dibupyrone has 1 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 Dibupyrone?
The CAS number of Dibupyrone is 772990-64-4.
What is the molecular formula of Dibupyrone?
The molecular formula of Dibupyrone is C16H23N3O4S.
What is the molecular weight of Dibupyrone?
The molecular weight of Dibupyrone is 353.14 g/mol.
Where can I buy Dibupyrone?
You can request a quote for Dibupyrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibupyrone?
Yes, KEHONG BIO provides custom synthesis services for Dibupyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.