benzidine N-glucuronide
TL;DR: benzidine N-glucuronide (CAS 92018-97-8) is a chemical compound with molecular formula C18H20N2O6 and molecular weight 360.13 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-aminophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Benzidine N-glucuronide, N-(beta-D-Glucopyranuronosyl)benzidine, n-(4'-aminobiphenyl-4-yl)-, A-d-glucopyranuronosylamine, N-(4'-Amino[1,1'-biphenyl]-4-yl)hexopyranuronosylamine
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 92018-97-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)N[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N |
| InChIKey | DWBONMREIKATNQ-ZOFXXKQRSA-N |
Product Overview
benzidine N-glucuronide (CAS 92018-97-8), with molecular formula C18H20N2O6 and molecular weight 360.13 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[4-(4-aminophenyl)anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of benzidine N-glucuronide
Property Insights of benzidine N-glucuronide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzidine N-glucuronide. The TPSA of 145.0 Ų indicates high polarity, suggesting benzidine N-glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzidine 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 benzidine N-glucuronide?
The CAS number of benzidine N-glucuronide is 92018-97-8.
What is the molecular formula of benzidine N-glucuronide?
The molecular formula of benzidine N-glucuronide is C18H20N2O6.
What is the molecular weight of benzidine N-glucuronide?
The molecular weight of benzidine N-glucuronide is 360.13 g/mol.
Where can I buy benzidine N-glucuronide?
You can request a quote for benzidine N-glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzidine N-glucuronide?
Yes, KEHONG BIO provides custom synthesis services for benzidine N-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.