RefChem:315885
TL;DR: RefChem:315885 (CAS 62707-53-3) is a chemical compound with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 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-, phenylmethyl ester, ((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxoacetic acid benzyl ester, PHENYLMETHYL2-[(1,5-DIMETHYL-3-OXO-2-PHENYLPYRAZOL-4-YL)AMINO]-2-OXOACETATE, benzyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate, Benzyl [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino](oxo)acetate
| Molecular Formula | C20H19N3O4 |
|---|---|
| Molecular Weight | 365.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 79.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.13754 |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 62707-53-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=O)OCC3=CC=CC=C3 |
| InChIKey | IFXWTVKUPHOVPV-UHFFFAOYSA-N |
Product Overview
RefChem:315885 (CAS 62707-53-3), with molecular formula C20H19N3O4 and molecular weight 365.14 g/mol. IUPAC: benzyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate.
Chemical Property Profile of RefChem:315885
Property Insights of RefChem:315885
The XLogP value of 3.2 indicates that RefChem:315885 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:315885. Following Lipinski's Rule of Five, RefChem:315885 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:315885?
The CAS number of RefChem:315885 is 62707-53-3.
What is the molecular formula of RefChem:315885?
The molecular formula of RefChem:315885 is C20H19N3O4.
What is the molecular weight of RefChem:315885?
The molecular weight of RefChem:315885 is 365.14 g/mol.
Where can I buy RefChem:315885?
You can request a quote for RefChem:315885 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:315885?
Yes, KEHONG BIO provides custom synthesis services for RefChem:315885 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.