1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)-
TL;DR: 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- (CAS 14422-76-5) 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-(N-methylanilino)naphthalene-1,4-dione
Also Known As: 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)-, 2-chloro-3-(N-methylanilino)naphthalene-1,4-dione, 2-Chloro-3-(methyl(phenyl)amino)naphthalene-1,4-dione, 2-CHLORO-3-[METHYL(PHENYL)AMINO]NAPHTHALENE-1,4-DIONE, RefChem:220959
| Molecular Formula | C17H12ClNO2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.6524 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.05566 |
| Heavy Atoms | 21 |
| Complexity | 765.3694 |
Chemical Identifiers
| CAS Number | 14422-76-5 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
Product Overview
1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- (CAS 14422-76-5), with molecular formula C17H12ClNO2 and molecular weight 297.06 g/mol. IUPAC: 2-chloro-3-(N-methylanilino)naphthalene-1,4-dione.
Chemical Property Profile of 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)-
Property Insights of 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)-
The XLogP value of 3.6524 indicates that 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- has 0 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 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)-?
The CAS number of 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- is 14422-76-5.
What is the molecular formula of 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)-?
The molecular formula of 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- is C17H12ClNO2.
What is the molecular weight of 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)-?
The molecular weight of 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- is 297.06 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)-?
You can request a quote for 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- 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-chloro-3-(methylphenylamino)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Naphthalenedione, 2-chloro-3-(methylphenylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.