3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone
TL;DR: 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone (CAS 64505-54-0) 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-(3-methylanilino)naphthalene-1,4-dione
Also Known As: 2-Chloro-3-(m-tolylamino)naphthalene-1,4-dione, 2-chloro-3-(3-toluidino)naphthoquinone, 2-chloro-3-(3-methylanilino)naphthalene-1,4-dione, 2-chloro-3-m-toluidino-[1,4]naphthoquinone, 2-chloro-3-(3-toluidino)-1,4-dihydronaphthalene-1,4-dione
| Molecular Formula | C17H12ClNO2 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.93652 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 297.05566 |
| Heavy Atoms | 21 |
| Complexity | 792.882 |
Chemical Identifiers
| CAS Number | 64505-54-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
Product Overview
3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone (CAS 64505-54-0), with molecular formula C17H12ClNO2 and molecular weight 297.06 g/mol. IUPAC: 2-chloro-3-(3-methylanilino)naphthalene-1,4-dione.
Chemical Property Profile of 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone
Property Insights of 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone
The XLogP value of 3.93652 indicates that 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone 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 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone?
The CAS number of 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone is 64505-54-0.
What is the molecular formula of 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone?
The molecular formula of 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone is C17H12ClNO2.
What is the molecular weight of 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone?
The molecular weight of 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone is 297.06 g/mol.
Where can I buy 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone?
You can request a quote for 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-2-(3-methylanilino)-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.