4-(3-Methylanilino)naphthalene-1,2-dione
TL;DR: 4-(3-Methylanilino)naphthalene-1,2-dione (CAS 27870-38-8) is a chemical compound with molecular formula C17H13NO2 and molecular weight 263.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methylanilino)naphthalene-1,2-dione
Also Known As: 4-(3-methylanilino)naphthalene-1,2-dione, 4-<3-Methyl-anilino>-naphthochinon1,2, 4-(3-methylphenylamino)-1,2-naphthoquinone, 4-[(3-methylphenyl)amino]naphthalene-1,2-dione, 1,2-Naphthalenedione,4-[(3-methylphenyl)amino]-
| Molecular Formula | C17H13NO2 |
|---|---|
| Molecular Weight | 263.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.09464 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 27870-38-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32 |
| InChIKey | HVYJBJRCJNTZOS-UHFFFAOYSA-N |
Product Overview
4-(3-Methylanilino)naphthalene-1,2-dione (CAS 27870-38-8), with molecular formula C17H13NO2 and molecular weight 263.09 g/mol. IUPAC: 4-(3-methylanilino)naphthalene-1,2-dione.
Chemical Property Profile of 4-(3-Methylanilino)naphthalene-1,2-dione
Property Insights of 4-(3-Methylanilino)naphthalene-1,2-dione
The XLogP value of 3.1 indicates that 4-(3-Methylanilino)naphthalene-1,2-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, 4-(3-Methylanilino)naphthalene-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Methylanilino)naphthalene-1,2-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 4-(3-Methylanilino)naphthalene-1,2-dione?
The CAS number of 4-(3-Methylanilino)naphthalene-1,2-dione is 27870-38-8.
What is the molecular formula of 4-(3-Methylanilino)naphthalene-1,2-dione?
The molecular formula of 4-(3-Methylanilino)naphthalene-1,2-dione is C17H13NO2.
What is the molecular weight of 4-(3-Methylanilino)naphthalene-1,2-dione?
The molecular weight of 4-(3-Methylanilino)naphthalene-1,2-dione is 263.09 g/mol.
Where can I buy 4-(3-Methylanilino)naphthalene-1,2-dione?
You can request a quote for 4-(3-Methylanilino)naphthalene-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methylanilino)naphthalene-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methylanilino)naphthalene-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.