C20H22ClN5O4S
TL;DR: C20H22ClN5O4S (CAS 578749-22-1) is a chemical compound with molecular formula C20H22ClN5O4S and molecular weight 463.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
Also Known As: 2-{[4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide, 2-((4-amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-chloro-2-methylphenyl)acetamide, 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide, 2-[4-amino-5-(3,4,5-trimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(5-chloro-2-m ethylphenyl)acetamide
| Molecular Formula | C20H22ClN5O4S |
|---|---|
| Molecular Weight | 463.11 g/mol |
| LogP | 3.37732 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.1081 |
| Heavy Atoms | 31 |
| Complexity | 1080.1646 |
Chemical Identifiers
| CAS Number | 578749-22-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=NN=C(N2N)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
C20H22ClN5O4S (CAS 578749-22-1), with molecular formula C20H22ClN5O4S and molecular weight 463.11 g/mol. IUPAC: 2-[[4-amino-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide.
Chemical Property Profile of C20H22ClN5O4S
Property Insights of C20H22ClN5O4S
The XLogP value of 3.37732 indicates that C20H22ClN5O4S 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 C20H22ClN5O4S. Following Lipinski's Rule of Five, C20H22ClN5O4S 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 C20H22ClN5O4S?
The CAS number of C20H22ClN5O4S is 578749-22-1.
What is the molecular formula of C20H22ClN5O4S?
The molecular formula of C20H22ClN5O4S is C20H22ClN5O4S.
What is the molecular weight of C20H22ClN5O4S?
The molecular weight of C20H22ClN5O4S is 463.11 g/mol.
Where can I buy C20H22ClN5O4S?
You can request a quote for C20H22ClN5O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H22ClN5O4S?
Yes, KEHONG BIO provides custom synthesis services for C20H22ClN5O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.