N-Acetoxy-N-acetyl-o-toluidine
TL;DR: N-Acetoxy-N-acetyl-o-toluidine (CAS 112077-92-6) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(N-acetyl-2-methylanilino) acetate
Also Known As: N-Acetoxy-N-acetyl-o-toluidine, (N-acetyl-2-methylanilino) acetate, N-ACETOXY-N-ACETYL-ORTHO-TOLUIDINE, Acetamide, N-(acetyloxy)-N-(2-methylphenyl)-, N-(acetyloxy)-N-(2-methylphenyl)acetamide
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 112077-92-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N(C(=O)C)OC(=O)C |
| InChIKey | FIHHAYPYTDZJBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Acetoxy-N-acetyl-o-toluidine (CAS 112077-92-6), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: (N-acetyl-2-methylanilino) acetate.
Chemical Property Profile of N-Acetoxy-N-acetyl-o-toluidine
Property Insights of N-Acetoxy-N-acetyl-o-toluidine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetoxy-N-acetyl-o-toluidine. With a topological polar surface area (TPSA) of 46.6 Ų, N-Acetoxy-N-acetyl-o-toluidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetoxy-N-acetyl-o-toluidine has 0 hydrogen bond donor(s) and 3 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 N-Acetoxy-N-acetyl-o-toluidine?
The CAS number of N-Acetoxy-N-acetyl-o-toluidine is 112077-92-6.
What is the molecular formula of N-Acetoxy-N-acetyl-o-toluidine?
The molecular formula of N-Acetoxy-N-acetyl-o-toluidine is C11H13NO3.
What is the molecular weight of N-Acetoxy-N-acetyl-o-toluidine?
The molecular weight of N-Acetoxy-N-acetyl-o-toluidine is 207.09 g/mol.
Where can I buy N-Acetoxy-N-acetyl-o-toluidine?
You can request a quote for N-Acetoxy-N-acetyl-o-toluidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Acetoxy-N-acetyl-o-toluidine?
Yes, KEHONG BIO provides custom synthesis services for N-Acetoxy-N-acetyl-o-toluidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.