C21H24ClN5O4S
TL;DR: C21H24ClN5O4S (CAS 766535-25-5) is a chemical compound with molecular formula C21H24ClN5O4S and molecular weight 477.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-chloro-4,6-dimethylphenyl)acetamide, 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide, 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(2-chloro-4,6 -dimethylphenyl)acetamide, 2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chloro-4,6-dimethylphenyl)acetamide, C21H24ClN5O4S
| Molecular Formula | C21H24ClN5O4S |
|---|---|
| Molecular Weight | 477.12 g/mol |
| LogP | 3.68574 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.12375 |
| Heavy Atoms | 32 |
| Complexity | 1103.2041 |
Chemical Identifiers
| CAS Number | 766535-25-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C(=C3)OC)OC)OC)C |
Product Overview
C21H24ClN5O4S (CAS 766535-25-5), with molecular formula C21H24ClN5O4S and molecular weight 477.12 g/mol. IUPAC: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide.
Chemical Property Profile of C21H24ClN5O4S
Property Insights of C21H24ClN5O4S
The XLogP value of 3.68574 indicates that C21H24ClN5O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H24ClN5O4S. Following Lipinski's Rule of Five, C21H24ClN5O4S has 2 hydrogen bond donor(s) and 8 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 C21H24ClN5O4S?
The CAS number of C21H24ClN5O4S is 766535-25-5.
What is the molecular formula of C21H24ClN5O4S?
The molecular formula of C21H24ClN5O4S is C21H24ClN5O4S.
What is the molecular weight of C21H24ClN5O4S?
The molecular weight of C21H24ClN5O4S is 477.12 g/mol.
Where can I buy C21H24ClN5O4S?
You can request a quote for C21H24ClN5O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H24ClN5O4S?
Yes, KEHONG BIO provides custom synthesis services for C21H24ClN5O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.