2-Chloro-3-(4-isopropylanilino)naphthoquinone
TL;DR: 2-Chloro-3-(4-isopropylanilino)naphthoquinone (CAS 155301-58-9) is a chemical compound with molecular formula C19H16ClNO2 and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(4-propan-2-ylanilino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(4-isopropylanilino)naphthoquinone, Alisol E 23-acetate, 2-chloro-3-(4-propan-2-ylanilino)naphthalene-1,4-dione, 2-Chloro-3-((4-isopropylphenyl)amino)naphthalene-1,4-dione, 2-chloro-3-(4-isopropylanilino)naphthalene-1,4-dione
| Molecular Formula | C19H16ClNO2 |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 4.7515 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.08694 |
| Heavy Atoms | 23 |
| Complexity | 819.5182 |
Chemical Identifiers
| CAS Number | 155301-58-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
Product Overview
2-Chloro-3-(4-isopropylanilino)naphthoquinone (CAS 155301-58-9), with molecular formula C19H16ClNO2 and molecular weight 325.09 g/mol. IUPAC: 2-chloro-3-(4-propan-2-ylanilino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(4-isopropylanilino)naphthoquinone
Property Insights of 2-Chloro-3-(4-isopropylanilino)naphthoquinone
The XLogP value of 4.7515 indicates that 2-Chloro-3-(4-isopropylanilino)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-isopropylanilino)naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(4-isopropylanilino)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 2-Chloro-3-(4-isopropylanilino)naphthoquinone?
The CAS number of 2-Chloro-3-(4-isopropylanilino)naphthoquinone is 155301-58-9.
What is the molecular formula of 2-Chloro-3-(4-isopropylanilino)naphthoquinone?
The molecular formula of 2-Chloro-3-(4-isopropylanilino)naphthoquinone is C19H16ClNO2.
What is the molecular weight of 2-Chloro-3-(4-isopropylanilino)naphthoquinone?
The molecular weight of 2-Chloro-3-(4-isopropylanilino)naphthoquinone is 325.09 g/mol.
Where can I buy 2-Chloro-3-(4-isopropylanilino)naphthoquinone?
You can request a quote for 2-Chloro-3-(4-isopropylanilino)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-isopropylanilino)naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(4-isopropylanilino)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.