N-Acetylbenzidine N'-glucuronide
TL;DR: N-Acetylbenzidine N'-glucuronide (CAS 248271-61-6) is a chemical compound with molecular formula C20H22N2O7 and molecular weight 402.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[4-(4-acetamidophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: N-Acetylbenzidine N'-glucuronide, N-Acetylbenzidine N -glucuronide, N-Acetyl-N -(beta-D-glucopyranuronosyl)benzidine, beta-D-Glucopyranuronic acid, 1-(4'-(acetylamino)(1,1'-biphenyl)-4-ylamino)-1-deoxy-, N-{4'-[(1-Hydroxyethylidene)amino][1,1'-biphenyl]-4-yl}-beta-D-glucopyranuronosylamine
| Molecular Formula | C20H22N2O7 |
|---|---|
| Molecular Weight | 402.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1427 |
| Heavy Atoms | 29 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 248271-61-6 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | FOSFMZROUHWIBO-QXCZDIPSSA-N |
Product Overview
N-Acetylbenzidine N'-glucuronide (CAS 248271-61-6), with molecular formula C20H22N2O7 and molecular weight 402.14 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[4-(4-acetamidophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of N-Acetylbenzidine N'-glucuronide
Property Insights of N-Acetylbenzidine N'-glucuronide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetylbenzidine N'-glucuronide. The TPSA of 148.0 Ų indicates high polarity, suggesting N-Acetylbenzidine N'-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-Acetylbenzidine N'-glucuronide has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-Acetylbenzidine N'-glucuronide?
The CAS number of N-Acetylbenzidine N'-glucuronide is 248271-61-6.
What is the molecular formula of N-Acetylbenzidine N'-glucuronide?
The molecular formula of N-Acetylbenzidine N'-glucuronide is C20H22N2O7.
What is the molecular weight of N-Acetylbenzidine N'-glucuronide?
The molecular weight of N-Acetylbenzidine N'-glucuronide is 402.14 g/mol.
Where can I buy N-Acetylbenzidine N'-glucuronide?
You can request a quote for N-Acetylbenzidine N'-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetylbenzidine N'-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for N-Acetylbenzidine N'-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.