![1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- structure](/static/products/905/90510-67-1.png)
1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-
TL;DR: 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- (CAS 90510-67-1) 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-(3-acetylanilino)-3-chloronaphthalene-1,4-dione
Also Known As: 2-(3-acetylanilino)-3-chloronaphthalene-1,4-dione, 2-(3-acetylanilino)-3-chloronaphthoquinone, 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-, 2-(3-acetylanilino)-3-chloro-1,4-naphthoquinone, 2-(3-acetylphenylamino)-3-chloro-1,4-naphthoquinone
| Molecular Formula | C18H12ClNO3 |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 3.8307 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.05057 |
| Heavy Atoms | 23 |
| Complexity | 883.3404 |
Chemical Identifiers
| CAS Number | 90510-67-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
Product Overview
1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- (CAS 90510-67-1), with molecular formula C18H12ClNO3 and molecular weight 325.05 g/mol. IUPAC: 2-(3-acetylanilino)-3-chloronaphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-
Property Insights of 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-
The XLogP value of 3.8307 indicates that 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- 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 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-?
The CAS number of 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- is 90510-67-1.
What is the molecular formula of 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-?
The molecular formula of 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- is C18H12ClNO3.
What is the molecular weight of 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-?
The molecular weight of 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- is 325.05 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-?
You can request a quote for 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-[(3-acetylphenyl)amino]-3-chloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.