![2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione structure](/static/products/6450/64505-78-8.webp)
2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione
TL;DR: 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione (CAS 64505-78-8) is a chemical compound with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(3,4-dimethylanilino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(3,4-dimethylanilino)naphthoquinone, 2-chloro-3-(3,4-dimethylanilino)naphthalene-1,4-dione, 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione, 2-(3,4-dimethylphenylamino)-3-chloro-1,4-naphthoquinone, 2-Chloro-3-((3,4-dimethylphenyl)amino)-1,4-naphthalenedione
| Molecular Formula | C18H14ClNO2 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.24494 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07132 |
| Heavy Atoms | 22 |
| Complexity | 836.73083 |
Chemical Identifiers
| CAS Number | 64505-78-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C |
Product Overview
2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione (CAS 64505-78-8), with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol. IUPAC: 2-chloro-3-(3,4-dimethylanilino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione
Property Insights of 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione
The XLogP value of 4.24494 indicates that 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione 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-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione?
The CAS number of 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione is 64505-78-8.
What is the molecular formula of 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione?
The molecular formula of 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione is C18H14ClNO2.
What is the molecular weight of 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione?
The molecular weight of 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione is 311.07 g/mol.
Where can I buy 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione?
You can request a quote for 2-Chloro-3-[(3,4-dimethylphenyl)amino]-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-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-[(3,4-dimethylphenyl)amino]-1,4-naphthalenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.