N-methylaniline N-glucuronide
TL;DR: N-methylaniline N-glucuronide (CAS 121054-06-6) is a chemical compound with molecular formula C13H17NO7 and molecular weight 299.1005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-(N-methylanilino)oxyoxane-2-carboxylic acid
Also Known As: N-Mamgl, N-Methylaniline N-glucuronide, 1-O-[Methyl(phenyl)amino]hexopyranuronic acid, 1-O-[methyl(phenyl)amino]-D-glucopyranuronic acid, (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(N-methylanilino)oxyoxane-2-carboxylic acid
Technical Specifications
| Molecular Formula | C13H17NO7 |
| Molecular Weight | 299.1005 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1005 Da |
| Heavy Atoms | 21 |
| Complexity | 360.0 |
| SMILES | CN(C1=CC=CC=C1)OC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | VACCKVAFFPKLAN-NJMOVEGISA-N |
Chemical Property Profile of N-methylaniline N-glucuronide
Property Insights of N-methylaniline N-glucuronide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methylaniline N-glucuronide. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methylaniline N-glucuronide. Following Lipinski's Rule of Five, N-methylaniline N-glucuronide has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-methylaniline N-glucuronide?
The CAS number of N-methylaniline N-glucuronide is 121054-06-6.
What is the molecular formula of N-methylaniline N-glucuronide?
The molecular formula of N-methylaniline N-glucuronide is C13H17NO7.
What is the molecular weight of N-methylaniline N-glucuronide?
The molecular weight of N-methylaniline N-glucuronide is 299.1005 g/mol.
Where can I buy N-methylaniline N-glucuronide?
You can request a quote for N-methylaniline N-glucuronide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-methylaniline N-glucuronide?
Yes, CoreyChem provides custom synthesis services for N-methylaniline N-glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.