C25H21ClN6O4S
TL;DR: C25H21ClN6O4S (CAS 406466-95-3) is a chemical compound with molecular formula C25H21ClN6O4S and molecular weight 536.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide
Also Known As: (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(1-(3-nitrophenyl)ethylidene)acetohydrazide
| Molecular Formula | C25H21ClN6O4S |
|---|---|
| Molecular Weight | 536.10 g/mol |
| LogP | 5.137 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.10333 |
| Heavy Atoms | 37 |
| Complexity | 1455.0507 |
Chemical Identifiers
| CAS Number | 406466-95-3 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)/C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
C25H21ClN6O4S (CAS 406466-95-3), with molecular formula C25H21ClN6O4S and molecular weight 536.10 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(3-nitrophenyl)ethylideneamino]acetamide.
Chemical Property Profile of C25H21ClN6O4S
Property Insights of C25H21ClN6O4S
The XLogP value of 5.137 indicates that C25H21ClN6O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.54 Ų falls within the moderate polarity range, balancing permeability and solubility for C25H21ClN6O4S. Following Lipinski's Rule of Five, C25H21ClN6O4S has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C25H21ClN6O4S?
The CAS number of C25H21ClN6O4S is 406466-95-3.
What is the molecular formula of C25H21ClN6O4S?
The molecular formula of C25H21ClN6O4S is C25H21ClN6O4S.
What is the molecular weight of C25H21ClN6O4S?
The molecular weight of C25H21ClN6O4S is 536.10 g/mol.
Where can I buy C25H21ClN6O4S?
You can request a quote for C25H21ClN6O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C25H21ClN6O4S?
Yes, KEHONG BIO provides custom synthesis services for C25H21ClN6O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.