Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester
TL;DR: Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester (CAS 120834-60-8) is a chemical compound with molecular formula C20H25N5O12S and molecular weight 559.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Also Known As: Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester, 2-[[3-(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)ureido]sulfonyl]-4-(beta-D-glucopyranosyloxy)benzoic acid methyl ester, methyl 2-({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]amino}sulfonyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoate, methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate, N'-[5-(beta-D-Glucopyranosyloxy)-2-(methoxycarbonyl)benzene-1-sulfonyl]-N-(6-methoxy-4-methyl-1,3,5-triazin-2(1H)-ylidene)carbamimidic acid
| Molecular Formula | C20H25N5O12S |
|---|---|
| Molecular Weight | 559.12 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 257.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 9 |
| Exact Mass | 559.1221 |
| Heavy Atoms | 38 |
| Complexity | 923.0 |
Chemical Identifiers
| CAS Number | 120834-60-8 |
|---|---|
| SMILES | CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)OC |
| InChIKey | BFMYFXXHOSFTIB-OQAPJDJNSA-N |
Product Overview
Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester (CAS 120834-60-8), with molecular formula C20H25N5O12S and molecular weight 559.12 g/mol. IUPAC: methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester
Property Insights of Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester
The XLogP value of -0.6 indicates that Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 257.0 Ų indicates high polarity, suggesting Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The CAS number of Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester is 120834-60-8.
What is the molecular formula of Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The molecular formula of Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester is C20H25N5O12S.
What is the molecular weight of Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
The molecular weight of Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester is 559.12 g/mol.
Where can I buy Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
You can request a quote for Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-(((((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.