C18H20N6O5S2
TL;DR: C18H20N6O5S2 (CAS 769929-37-5) is a chemical compound with molecular formula C18H20N6O5S2 and molecular weight 464.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Also Known As: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide, 2-((4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide, 2-[4-amino-5-(3,4-dimethoxyphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-sulfamoylphen yl)acetamide, 2-{[4-amino-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide, C18H20N6O5S2
| Molecular Formula | C18H20N6O5S2 |
|---|---|
| Molecular Weight | 464.09 g/mol |
| LogP | 1.0543 |
| Topological Polar Surface Area | 164.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 464.09366 |
| Heavy Atoms | 31 |
| Complexity | 1194.6494 |
Chemical Identifiers
| CAS Number | 769929-37-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)OC |
Product Overview
C18H20N6O5S2 (CAS 769929-37-5), with molecular formula C18H20N6O5S2 and molecular weight 464.09 g/mol. IUPAC: 2-[[4-amino-5-(3,4-dimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
Chemical Property Profile of C18H20N6O5S2
Property Insights of C18H20N6O5S2
The XLogP value of 1.0543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H20N6O5S2. The TPSA of 164.45 Ų indicates high polarity, suggesting C18H20N6O5S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H20N6O5S2 has 3 hydrogen bond donor(s) and 9 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 C18H20N6O5S2?
The CAS number of C18H20N6O5S2 is 769929-37-5.
What is the molecular formula of C18H20N6O5S2?
The molecular formula of C18H20N6O5S2 is C18H20N6O5S2.
What is the molecular weight of C18H20N6O5S2?
The molecular weight of C18H20N6O5S2 is 464.09 g/mol.
Where can I buy C18H20N6O5S2?
You can request a quote for C18H20N6O5S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H20N6O5S2?
Yes, KEHONG BIO provides custom synthesis services for C18H20N6O5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.