n-2,4,6-trimethoxybenzamide
TL;DR: n-2,4,6-trimethoxybenzamide (CAS 55217-92-0) is a chemical compound with molecular formula C13H16N4O6S2 and molecular weight 388.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethoxy-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide
Also Known As: n-2,4,6-trimethoxybenzamide, N- -2,4,6-trimethoxybenzamide, 3-Methyl-2-(2,4,6-trimethoxybenzoylimino)-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide, 4-Methyl-5-(2,4,6-trimethoxybenzoylimino)-delta(sup 2)-1,3,4-thiadiazoline-2-sulfonamide, Benzamide, N-(4-methyl-2-sulfamoyl-delta(sup 2)-1,3,4-thiadiazolin-5-ylidene)-2,4,6-trimethoxy-
| Molecular Formula | C13H16N4O6S2 |
|---|---|
| Molecular Weight | 388.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.05112 |
| Heavy Atoms | 25 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 55217-92-0 |
|---|---|
| SMILES | CN1C(=NC(=O)C2=C(C=C(C=C2OC)OC)OC)SC(=N1)S(=O)(=O)N |
| InChIKey | QLXOENLBTXWIND-UHFFFAOYSA-N |
Product Overview
n-2,4,6-trimethoxybenzamide (CAS 55217-92-0), with molecular formula C13H16N4O6S2 and molecular weight 388.05 g/mol. IUPAC: 2,4,6-trimethoxy-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide.
Chemical Property Profile of n-2,4,6-trimethoxybenzamide
Property Insights of n-2,4,6-trimethoxybenzamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-2,4,6-trimethoxybenzamide. The TPSA of 167.0 Ų indicates high polarity, suggesting n-2,4,6-trimethoxybenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, n-2,4,6-trimethoxybenzamide has 1 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 n-2,4,6-trimethoxybenzamide?
The CAS number of n-2,4,6-trimethoxybenzamide is 55217-92-0.
What is the molecular formula of n-2,4,6-trimethoxybenzamide?
The molecular formula of n-2,4,6-trimethoxybenzamide is C13H16N4O6S2.
What is the molecular weight of n-2,4,6-trimethoxybenzamide?
The molecular weight of n-2,4,6-trimethoxybenzamide is 388.05 g/mol.
Where can I buy n-2,4,6-trimethoxybenzamide?
You can request a quote for n-2,4,6-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-2,4,6-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for n-2,4,6-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.