RefChem:416562
TL;DR: RefChem:416562 (CAS 4898-57-1) is a chemical compound with molecular formula C26H30N2O4 and molecular weight 434.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-bis(4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate
Also Known As: Diethyl 2,5-di-p-toluidino-3,6-dihydroterephthalate, 2,5-Di(p-toluidino)-3,6-dihydroterephthalic acid diethyl ester, 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis((4-methylphenyl)amino)-, 1,4-diethyl ester, 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis((4-methylphenyl)amino)-, diethyl ester, 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-bis[(4-methylphenyl)amino]-, diethyl ester
| Molecular Formula | C26H30N2O4 |
|---|---|
| Molecular Weight | 434.22 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 434.22055 |
| Heavy Atoms | 32 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 4898-57-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(CC(=C(C1)NC2=CC=C(C=C2)C)C(=O)OCC)NC3=CC=C(C=C3)C |
| InChIKey | JQVSBFSFDYFKHJ-UHFFFAOYSA-N |
Product Overview
RefChem:416562 (CAS 4898-57-1), with molecular formula C26H30N2O4 and molecular weight 434.22 g/mol. IUPAC: diethyl 2,5-bis(4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate.
Chemical Property Profile of RefChem:416562
Property Insights of RefChem:416562
The XLogP value of 6.4 indicates that RefChem:416562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:416562. Following Lipinski's Rule of Five, RefChem:416562 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:416562?
The CAS number of RefChem:416562 is 4898-57-1.
What is the molecular formula of RefChem:416562?
The molecular formula of RefChem:416562 is C26H30N2O4.
What is the molecular weight of RefChem:416562?
The molecular weight of RefChem:416562 is 434.22 g/mol.
Where can I buy RefChem:416562?
You can request a quote for RefChem:416562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:416562?
Yes, KEHONG BIO provides custom synthesis services for RefChem:416562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.