RefChem:444165
TL;DR: RefChem:444165 (CAS 61318-58-9) is a chemical compound with molecular formula C25H21N3O2 and molecular weight 395.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[4-(4-methoxyanilino)anilino]phenyl]iminocyclohexa-2,5-dien-1-one
Also Known As: 2,5-Cyclohexadien-1-one, 4-((4-((4-((4-methoxyphenyl)amino)phenyl)amino)phenyl)imino)-, 2,5-Cyclohexadien-1-one, 4-[[4-[[4-[(4-methoxyphenyl)amino]phenyl]amino]phenyl]imino]-, 4-{[4-({4-[(4-methoxyphenyl)amino]phenyl}amino)phenyl]imino}cyclohexa-2,5-dien-1-one, 4-[4-[4-(4-methoxyanilino)anilino]phenyl]iminocyclohexa-2,5-dien-1-one, 4-({4-[4-(4-Methoxyanilino)anilino]phenyl}imino)cyclohexa-2,5-dien-1-one
| Molecular Formula | C25H21N3O2 |
|---|---|
| Molecular Weight | 395.16 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.1634 |
| Heavy Atoms | 30 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 61318-58-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)N=C4C=CC(=O)C=C4 |
| InChIKey | SRHSAWJGTIRLRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:444165 (CAS 61318-58-9), with molecular formula C25H21N3O2 and molecular weight 395.16 g/mol. IUPAC: 4-[4-[4-(4-methoxyanilino)anilino]phenyl]iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of RefChem:444165
Property Insights of RefChem:444165
The XLogP value of 4.7 indicates that RefChem:444165 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:444165. Following Lipinski's Rule of Five, RefChem:444165 has 2 hydrogen bond donor(s) and 5 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 RefChem:444165?
The CAS number of RefChem:444165 is 61318-58-9.
What is the molecular formula of RefChem:444165?
The molecular formula of RefChem:444165 is C25H21N3O2.
What is the molecular weight of RefChem:444165?
The molecular weight of RefChem:444165 is 395.16 g/mol.
Where can I buy RefChem:444165?
You can request a quote for RefChem:444165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:444165?
Yes, KEHONG BIO provides custom synthesis services for RefChem:444165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.