2-Chloro-3-(4-phenoxyanilino)naphthoquinone
TL;DR: 2-Chloro-3-(4-phenoxyanilino)naphthoquinone (CAS 487025-33-2) is a chemical compound with molecular formula C22H14ClNO3 and molecular weight 375.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(4-phenoxyanilino)naphthalene-1,4-dione
Also Known As: Salor-int l446998-1ea, 2-CHLORO-3-(4-PHENOXYANILINO)NAPHTHOQUINONE, 2-chloro-3-(4-phenoxyanilino)naphthalene-1,4-dione, 3-chloro-2-[(4-phenoxyphenyl)amino]naphthalene-1,4-dione, 645-093-4
| Molecular Formula | C22H14ClNO3 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | 5.4204 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.06622 |
| Heavy Atoms | 27 |
| Complexity | 1056.4307 |
Chemical Identifiers
| CAS Number | 487025-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl |
Product Overview
2-Chloro-3-(4-phenoxyanilino)naphthoquinone (CAS 487025-33-2), with molecular formula C22H14ClNO3 and molecular weight 375.07 g/mol. IUPAC: 2-chloro-3-(4-phenoxyanilino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(4-phenoxyanilino)naphthoquinone
Property Insights of 2-Chloro-3-(4-phenoxyanilino)naphthoquinone
The XLogP value of 5.4204 indicates that 2-Chloro-3-(4-phenoxyanilino)naphthoquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Chloro-3-(4-phenoxyanilino)naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(4-phenoxyanilino)naphthoquinone has 1 hydrogen bond donor(s) and 4 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-phenoxyanilino)naphthoquinone?
The CAS number of 2-Chloro-3-(4-phenoxyanilino)naphthoquinone is 487025-33-2.
What is the molecular formula of 2-Chloro-3-(4-phenoxyanilino)naphthoquinone?
The molecular formula of 2-Chloro-3-(4-phenoxyanilino)naphthoquinone is C22H14ClNO3.
What is the molecular weight of 2-Chloro-3-(4-phenoxyanilino)naphthoquinone?
The molecular weight of 2-Chloro-3-(4-phenoxyanilino)naphthoquinone is 375.07 g/mol.
Where can I buy 2-Chloro-3-(4-phenoxyanilino)naphthoquinone?
You can request a quote for 2-Chloro-3-(4-phenoxyanilino)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-phenoxyanilino)naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(4-phenoxyanilino)naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.