RefChem:1065975
TL;DR: RefChem:1065975 (CAS 107788-22-7) is a chemical compound with molecular formula C27H26N2O4S and molecular weight 474.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-[[3-butoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione
Also Known As: 3,5-Pyrazolidinedione, 4-((3-butoxy-4-hydroxy-5-((phenylthio)methyl)phenyl)methylene)-1-phenyl-, (4Z)-4-[[3-butoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione, RefChem:1065975
| Molecular Formula | C27H26N2O4S |
|---|---|
| Molecular Weight | 474.16 g/mol |
| LogP | 5.3248 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 474.16132 |
| Heavy Atoms | 34 |
| Complexity | 1196.0117 |
Chemical Identifiers
| CAS Number | 107788-22-7 |
|---|---|
| SMILES | CCCCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C\3/C(=O)NN(C3=O)C4=CC=CC=C4 |
Product Overview
RefChem:1065975 (CAS 107788-22-7), with molecular formula C27H26N2O4S and molecular weight 474.16 g/mol. IUPAC: (4Z)-4-[[3-butoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]methylidene]-1-phenylpyrazolidine-3,5-dione.
Chemical Property Profile of RefChem:1065975
Property Insights of RefChem:1065975
The XLogP value of 5.3248 indicates that RefChem:1065975 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1065975. Following Lipinski's Rule of Five, RefChem:1065975 has 2 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:1065975?
The CAS number of RefChem:1065975 is 107788-22-7.
What is the molecular formula of RefChem:1065975?
The molecular formula of RefChem:1065975 is C27H26N2O4S.
What is the molecular weight of RefChem:1065975?
The molecular weight of RefChem:1065975 is 474.16 g/mol.
Where can I buy RefChem:1065975?
You can request a quote for RefChem:1065975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1065975?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1065975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.