RefChem:327498
TL;DR: RefChem:327498 (CAS 58906-08-4) is a chemical compound with molecular formula C33H30N2O4 and molecular weight 518.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-phenylmethoxybenzoate
Also Known As: 3-(p-Benzyloxybenzoyl)phenylbutazone, 3-(p.Benzilossibenoil)fenilbutazone, 3-(p.Benzilossibenoil)fenilbutazone [Italian], Ethyl (1-ethoxyethylidene)carbazate, Benzoic acid, 4-(phenylmethoxy)-, 2,5-dihydroxy-4-butyl-1,2-diphenyl-5-oxo-1H-pyrazol-3-yl ester
| Molecular Formula | C33H30N2O4 |
|---|---|
| Molecular Weight | 518.22 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 518.2206 |
| Heavy Atoms | 39 |
| Complexity | 831.0 |
Chemical Identifiers
| CAS Number | 58906-08-4 |
|---|---|
| SMILES | CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5 |
| InChIKey | RYSKLCHVWRADLA-UHFFFAOYSA-N |
Product Overview
RefChem:327498 (CAS 58906-08-4), with molecular formula C33H30N2O4 and molecular weight 518.22 g/mol. IUPAC: (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 4-phenylmethoxybenzoate.
Chemical Property Profile of RefChem:327498
Property Insights of RefChem:327498
The XLogP value of 8.1 indicates that RefChem:327498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, RefChem:327498 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:327498 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:327498?
The CAS number of RefChem:327498 is 58906-08-4.
What is the molecular formula of RefChem:327498?
The molecular formula of RefChem:327498 is C33H30N2O4.
What is the molecular weight of RefChem:327498?
The molecular weight of RefChem:327498 is 518.22 g/mol.
Where can I buy RefChem:327498?
You can request a quote for RefChem:327498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327498?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.