2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione
TL;DR: 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione (CAS 104901-28-2) is a chemical compound with molecular formula C22H15ClN2O2 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-anilinoanilino)-3-chloronaphthalene-1,4-dione
Also Known As: 2-(4-anilinoanilino)-3-chloronaphthalene-1,4-dione, 2-(4-anilinoanilino)-3-chloronaphthoquinone, BIM-0020646.P001, AO-567/14978007, 2-chloro-3-{[4-(phenylamino)phenyl]amino}naphthalene-1,4-dione
| Molecular Formula | C22H15ClN2O2 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 5.3717 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.0822 |
| Heavy Atoms | 27 |
| Complexity | 1057.1855 |
Chemical Identifiers
| CAS Number | 104901-28-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl |
Product Overview
2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione (CAS 104901-28-2), with molecular formula C22H15ClN2O2 and molecular weight 374.08 g/mol. IUPAC: 2-(4-anilinoanilino)-3-chloronaphthalene-1,4-dione.
Chemical Property Profile of 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione
Property Insights of 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione
The XLogP value of 5.3717 indicates that 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione has 2 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-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione?
The CAS number of 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione is 104901-28-2.
What is the molecular formula of 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione?
The molecular formula of 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione is C22H15ClN2O2.
What is the molecular weight of 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione?
The molecular weight of 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione is 374.08 g/mol.
Where can I buy 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione?
You can request a quote for 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Anilinoanilino)-3-chloronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.