3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate
TL;DR: 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate (CAS 41175-64-8) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5-trimethoxyphenyl)-1λ4-thia-2,3-diazacyclopenta-1,5-dien-4-one
Also Known As: 3-1,2,3-thiadiazol-3-ium-4-olate, 3-(3,4,5-trimethoxyphenyl)thiadiazol-3-ium-4-olate, 3- -1,2,3-thiadiazol-3-ium-4-olate, 3-(3,4,5-Trimethoxyphenyl)-1,2,3-thiadiazol-3-ium-4-olate, 3-(3,4,5-trimethoxyphenyl)-1,2,3lambda5-thiadiazol-3-ylium-4-olate
| Molecular Formula | C11H12N2O4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.0518 |
| Heavy Atoms | 18 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 41175-64-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)N2C(=O)C=S=N2 |
| InChIKey | ACSFYOOEPRLWJA-UHFFFAOYSA-N |
Product Overview
3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate (CAS 41175-64-8), with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol. IUPAC: 3-(3,4,5-trimethoxyphenyl)-1λ4-thia-2,3-diazacyclopenta-1,5-dien-4-one.
Chemical Property Profile of 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate
Property Insights of 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate. Following Lipinski's Rule of Five, 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate has 0 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 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate?
The CAS number of 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate is 41175-64-8.
What is the molecular formula of 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate?
The molecular formula of 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate is C11H12N2O4S.
What is the molecular weight of 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate?
The molecular weight of 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate is 268.05 g/mol.
Where can I buy 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate?
You can request a quote for 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4,5-Trimethoxyphenyl)thiadiazol-3-ium-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.