Trichloroacetic acid, 2-naphthyl ester
TL;DR: Trichloroacetic acid, 2-naphthyl ester (CAS 1871-41-6) is a chemical compound with molecular formula C12H7Cl3O2 and molecular weight 287.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-2-yl 2,2,2-trichloroacetate
Also Known As: Trichloroacetic acid, 2-naphthyl ester, naphthalen-2-yl trichloroacetate, trichloro-acetic acid-[2]naphthyl ester, naphthalen-2-yl 2,2,2-trichloroacetate, Acetic acid, 2,2,2-trichloro-, 2-naphthalenyl ester
| Molecular Formula | C12H7Cl3O2 |
|---|---|
| Molecular Weight | 287.95 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.95117 |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 1871-41-6 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)OC(=O)C(Cl)(Cl)Cl |
| InChIKey | CXHQPDVKRPVPJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trichloroacetic acid, 2-naphthyl ester (CAS 1871-41-6), with molecular formula C12H7Cl3O2 and molecular weight 287.95 g/mol. IUPAC: naphthalen-2-yl 2,2,2-trichloroacetate.
Chemical Property Profile of Trichloroacetic acid, 2-naphthyl ester
Property Insights of Trichloroacetic acid, 2-naphthyl ester
The XLogP value of 4.6 indicates that Trichloroacetic acid, 2-naphthyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Trichloroacetic acid, 2-naphthyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichloroacetic acid, 2-naphthyl ester has 0 hydrogen bond donor(s) and 2 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 Trichloroacetic acid, 2-naphthyl ester?
The CAS number of Trichloroacetic acid, 2-naphthyl ester is 1871-41-6.
What is the molecular formula of Trichloroacetic acid, 2-naphthyl ester?
The molecular formula of Trichloroacetic acid, 2-naphthyl ester is C12H7Cl3O2.
What is the molecular weight of Trichloroacetic acid, 2-naphthyl ester?
The molecular weight of Trichloroacetic acid, 2-naphthyl ester is 287.95 g/mol.
Where can I buy Trichloroacetic acid, 2-naphthyl ester?
You can request a quote for Trichloroacetic acid, 2-naphthyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichloroacetic acid, 2-naphthyl ester?
Yes, KEHONG BIO provides custom synthesis services for Trichloroacetic acid, 2-naphthyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.