3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate
TL;DR: 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate (CAS 39964-49-3) is a chemical compound with molecular formula C20H16ClNO3 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] 2-chloroacetate
Also Known As: Naphthol AS-D chloroacetate, 2-(O-tolylcarbamoyl)naphthalen-3-yl 2-chloroacetate, LEDER STAIN, naphthol-as-d-chloroacetate, Acetic acid, chloro-, (S)-
| Molecular Formula | C20H16ClNO3 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.08188 |
| Heavy Atoms | 25 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 39964-49-3 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OC(=O)CCl |
| InChIKey | FMVKYSCWHDVMGO-UHFFFAOYSA-N |
Product Overview
3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate (CAS 39964-49-3), with molecular formula C20H16ClNO3 and molecular weight 353.08 g/mol. IUPAC: [3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] 2-chloroacetate.
Chemical Property Profile of 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate
Property Insights of 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate
The XLogP value of 4.7 indicates that 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate has 1 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 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate?
The CAS number of 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate is 39964-49-3.
What is the molecular formula of 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate?
The molecular formula of 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate is C20H16ClNO3.
What is the molecular weight of 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate?
The molecular weight of 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate is 353.08 g/mol.
Where can I buy 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate?
You can request a quote for 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(((2-Methylphenyl)amino)carbonyl)-2-naphthalenyl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.