RefChem:315883
TL;DR: RefChem:315883 (CAS 62707-51-1) is a chemical compound with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate
Also Known As: Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, butyl ester, ((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxoacetic acid butyl ester, butyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate, butyl [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino](oxo)acetate, RefChem:315883
| Molecular Formula | C17H21N3O4 |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.1532 |
| Heavy Atoms | 24 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 62707-51-1 |
|---|---|
| SMILES | CCCCOC(=O)C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C |
| InChIKey | CQSLQMGVFIUXCP-UHFFFAOYSA-N |
Product Overview
RefChem:315883 (CAS 62707-51-1), with molecular formula C17H21N3O4 and molecular weight 331.15 g/mol. IUPAC: butyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate.
Chemical Property Profile of RefChem:315883
Property Insights of RefChem:315883
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:315883. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315883. Following Lipinski's Rule of Five, RefChem:315883 has 1 hydrogen bond donor(s) and 5 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 RefChem:315883?
The CAS number of RefChem:315883 is 62707-51-1.
What is the molecular formula of RefChem:315883?
The molecular formula of RefChem:315883 is C17H21N3O4.
What is the molecular weight of RefChem:315883?
The molecular weight of RefChem:315883 is 331.15 g/mol.
Where can I buy RefChem:315883?
You can request a quote for RefChem:315883 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315883?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315883 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.