C21H20ClN7OS
TL;DR: C21H20ClN7OS (CAS 879437-88-4) is a chemical compound with molecular formula C21H20ClN7OS and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,4-dimethylphenyl)acetamide, 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide, 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide, 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(3,4- dimethylphenyl)acetamide
| Molecular Formula | C21H20ClN7OS |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 4.05004 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.11386 |
| Heavy Atoms | 31 |
| Complexity | 1233.0166 |
Chemical Identifiers
| CAS Number | 879437-88-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)Cl)C |
Product Overview
C21H20ClN7OS (CAS 879437-88-4), with molecular formula C21H20ClN7OS and molecular weight 453.11 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide.
Chemical Property Profile of C21H20ClN7OS
Property Insights of C21H20ClN7OS
The XLogP value of 4.05004 indicates that C21H20ClN7OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H20ClN7OS. Following Lipinski's Rule of Five, C21H20ClN7OS has 3 hydrogen bond donor(s) and 6 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 C21H20ClN7OS?
The CAS number of C21H20ClN7OS is 879437-88-4.
What is the molecular formula of C21H20ClN7OS?
The molecular formula of C21H20ClN7OS is C21H20ClN7OS.
What is the molecular weight of C21H20ClN7OS?
The molecular weight of C21H20ClN7OS is 453.11 g/mol.
Where can I buy C21H20ClN7OS?
You can request a quote for C21H20ClN7OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20ClN7OS?
Yes, KEHONG BIO provides custom synthesis services for C21H20ClN7OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.