Paeoniflorgenin
TL;DR: Paeoniflorgenin (CAS 697300-41-7) is a chemical compound with molecular formula C24H21ClN4O2S and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: Paeoniflorgenin, BAS 02137973, N-(3-Chloro-2-methylphenyl)-2-((5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-2-methylphenyl)-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide,
N-(3-chloro-2-methylphenyl)-2-((5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triaz ol-3-yl)thio)acetamide
| Molecular Formula | C24H21ClN4O2S |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 5.63552 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.10736 |
| Heavy Atoms | 32 |
| Complexity | 1243.9951 |
Chemical Identifiers
| CAS Number | 697300-41-7 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4OC |
Product Overview
Paeoniflorgenin (CAS 697300-41-7), with molecular formula C24H21ClN4O2S and molecular weight 464.11 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of Paeoniflorgenin
Property Insights of Paeoniflorgenin
The XLogP value of 5.63552 indicates that Paeoniflorgenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Paeoniflorgenin. Following Lipinski's Rule of Five, Paeoniflorgenin has 1 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 Paeoniflorgenin?
The CAS number of Paeoniflorgenin is 697300-41-7.
What is the molecular formula of Paeoniflorgenin?
The molecular formula of Paeoniflorgenin is C24H21ClN4O2S.
What is the molecular weight of Paeoniflorgenin?
The molecular weight of Paeoniflorgenin is 464.11 g/mol.
Where can I buy Paeoniflorgenin?
You can request a quote for Paeoniflorgenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paeoniflorgenin?
Yes, KEHONG BIO provides custom synthesis services for Paeoniflorgenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.