2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone
TL;DR: 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone (CAS 866153-67-5) is a chemical compound with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(3-methyl-4-propan-2-ylanilino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone, 2-chloro-3-{[3-methyl-4-(propan-2-yl)phenyl]amino}-1,4-dihydronaphthalene-1,4-dione, 2-chloro-3-(3-methyl-4-propan-2-ylanilino)naphthalene-1,4-dione, 2-chloro-3-(4-isopropyl-3-methyl-anilino)naphthalene-1,4-dione
| Molecular Formula | C20H18ClNO2 |
|---|---|
| Molecular Weight | 339.10 g/mol |
| LogP | 5.05992 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.1026 |
| Heavy Atoms | 24 |
| Complexity | 880.95764 |
Chemical Identifiers
| CAS Number | 866153-67-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C(C)C |
Product Overview
2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone (CAS 866153-67-5), with molecular formula C20H18ClNO2 and molecular weight 339.10 g/mol. IUPAC: 2-chloro-3-(3-methyl-4-propan-2-ylanilino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone
Property Insights of 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone
The XLogP value of 5.05992 indicates that 2-Chloro-3-(4-isopropyl-3-methylanilino)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, 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone?
The CAS number of 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone is 866153-67-5.
What is the molecular formula of 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone?
The molecular formula of 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone is C20H18ClNO2.
What is the molecular weight of 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone?
The molecular weight of 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone is 339.10 g/mol.
Where can I buy 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone?
You can request a quote for 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone 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-(4-isopropyl-3-methylanilino)naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(4-isopropyl-3-methylanilino)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.