Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-
TL;DR: Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- (CAS 77803-55-5) is a chemical compound with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-, 5-(3,4,5-Trimetossifenil)-3-carbossimetiltio-4H-1,2,4-triazolo, 5-(3,4,5-Trimetossifenil)-3-carbossimetiltio-4H-1,2,4-triazolo [Italian], ACETIC ACID,2-[[3-(3,4,5-TRIMETHOXYPHENYL)-1H-1,2,4-TRIAZOL-5-YL]THIO]-, {[5-(3,4,5-TRIMETHOXYPHENYL)-1H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID
| Molecular Formula | C13H15N3O5S |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 1.6742 |
| Topological Polar Surface Area | 106.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 325.07324 |
| Heavy Atoms | 22 |
| Complexity | 648.4403 |
Chemical Identifiers
| CAS Number | 77803-55-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NC(=NN2)SCC(=O)O |
Product Overview
Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- (CAS 77803-55-5), with molecular formula C13H15N3O5S and molecular weight 325.07 g/mol. IUPAC: 2-[[5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-
Property Insights of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-
The XLogP value of 1.6742 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-. The TPSA of 106.56 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-. Following Lipinski's Rule of Five, Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- has 2 hydrogen bond donor(s) and 7 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 Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-?
The CAS number of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- is 77803-55-5.
What is the molecular formula of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-?
The molecular formula of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- is C13H15N3O5S.
What is the molecular weight of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-?
The molecular weight of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- is 325.07 g/mol.
Where can I buy Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-?
You can request a quote for Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.