beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)-
TL;DR: beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- (CAS 69783-19-3) is a chemical compound with molecular formula C16H21NO9 and molecular weight 371.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-(N-acetyl-4-ethoxyanilino)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: N-Hydroxyphenacetin glucuronide, Phenacetin N-O-glucuronide, N-hydroxyphenacetinglucuronide, 1-O-[Acetyl(4-ethoxyphenyl)amino]hexopyranuronic acid, (2S,3S,4S,5R,6S)-6-(N-acetyl-4-ethoxyanilino)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Molecular Formula | C16H21NO9 |
|---|---|
| Molecular Weight | 371.12 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.12164 |
| Heavy Atoms | 26 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 69783-19-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N(C(=O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | CGQCCRQISHOSGC-HAFSJTIUSA-N |
Product Overview
beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- (CAS 69783-19-3), with molecular formula C16H21NO9 and molecular weight 371.12 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(N-acetyl-4-ethoxyanilino)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)-
Property Insights of beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)-
The XLogP value of -0.2 indicates that beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- has 4 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 beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)-?
The CAS number of beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- is 69783-19-3.
What is the molecular formula of beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)-?
The molecular formula of beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- is C16H21NO9.
What is the molecular weight of beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)-?
The molecular weight of beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- is 371.12 g/mol.
Where can I buy beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)-?
You can request a quote for beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranuronic acid, 1-O-(acetyl(4-ethoxyphenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.