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2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione
TL;DR: 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione (CAS 130089-98-4) is a chemical compound with molecular formula C18H12ClNO3 and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-acetylanilino)-3-chloronaphthalene-1,4-dione
Also Known As: NQ301, Compound 211, NQ 301, 2-(4-acetylanilino)-3-chloronaphthalene-1,4-dione, EX-A1233
| Molecular Formula | C18H12ClNO3 |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.05057 |
| Heavy Atoms | 23 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 130089-98-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | LSQZKIQSQHZVQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione (CAS 130089-98-4), with molecular formula C18H12ClNO3 and molecular weight 325.05 g/mol. IUPAC: 2-(4-acetylanilino)-3-chloronaphthalene-1,4-dione.
Chemical Property Profile of 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione
Property Insights of 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione. Following Lipinski's Rule of Five, 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione has 1 hydrogen bond donor(s) and 4 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-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione?
The CAS number of 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione is 130089-98-4.
What is the molecular formula of 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione?
The molecular formula of 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione is C18H12ClNO3.
What is the molecular weight of 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione?
The molecular weight of 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione is 325.05 g/mol.
Where can I buy 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione?
You can request a quote for 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.