![2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone structure](/static/products/3314/331462-36-3.webp)
2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone
TL;DR: 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone (CAS 331462-36-3) is a chemical compound with molecular formula C17H11Cl2NO2 and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-[(4-chlorophenyl)methylamino]naphthalene-1,4-dione
Also Known As: 2-chloro-3-[(4-chlorobenzyl)amino]naphthoquinone, 2-chloro-3-[(4-chlorophenyl)methylamino]naphthalene-1,4-dione, 2-chloro-3-{[(4-chlorophenyl)methyl]amino}-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C17H11Cl2NO2 |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.0167 |
| Heavy Atoms | 22 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 331462-36-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC3=CC=C(C=C3)Cl |
| InChIKey | JSOPQDOEULZIHP-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone (CAS 331462-36-3), with molecular formula C17H11Cl2NO2 and molecular weight 331.02 g/mol. IUPAC: 2-chloro-3-[(4-chlorophenyl)methylamino]naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone
Property Insights of 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone
The XLogP value of 4.6 indicates that 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone 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 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone?
The CAS number of 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone is 331462-36-3.
What is the molecular formula of 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone?
The molecular formula of 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone is C17H11Cl2NO2.
What is the molecular weight of 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone?
The molecular weight of 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone is 331.02 g/mol.
Where can I buy 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone?
You can request a quote for 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-[(4-chlorobenzyl)amino]naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.