2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione
TL;DR: 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione (CAS 62609-82-9) is a chemical compound with molecular formula C17H12ClNO2 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(4-methylanilino)naphthalene-1,4-dione
Also Known As: 1,4-Naphthoquinone der., 2-chloro-3-(4-methylanilino)naphthalene-1,4-dione, NCIOpen2_007229, 2-chloro-3-(4-toluidino)naphthoquinone, 2-chloro-3-[(4-methylphenyl)amino]-1,4-naphthoquinone
| Molecular Formula | C17H12ClNO2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.05566 |
| Heavy Atoms | 21 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 62609-82-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | RFTKKJMESXPXLC-UHFFFAOYSA-N |
Product Overview
2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione (CAS 62609-82-9), with molecular formula C17H12ClNO2 and molecular weight 297.06 g/mol. IUPAC: 2-chloro-3-(4-methylanilino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione
Property Insights of 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione
The XLogP value of 3.5 indicates that 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione 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-methylanilino)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione 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-methylanilino)naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione is 62609-82-9.
What is the molecular formula of 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione is C17H12ClNO2.
What is the molecular weight of 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione is 297.06 g/mol.
Where can I buy 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione 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-methylanilino)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(4-methylanilino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.