RefChem:416565
TL;DR: RefChem:416565 (CAS 4898-58-2) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate
Also Known As: Dimethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate, Dimethyl 2,5-dianilino-1,4-cyclohexadiene-1,4-dicarboxylate, dimethyl 2,5-dianilino-3,6-dihydroterephthalate, dimethyl 3,6-dihydro-2,5-dianilinoterephthalate, 2,5-Dianilino-3,6-dihydro-1,4-benzenedicarboxylic acid, dimethyl ester
| Molecular Formula | C22H22N2O4 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.15796 |
| Heavy Atoms | 28 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 4898-58-2 |
|---|---|
| SMILES | COC(=O)C1=C(CC(=C(C1)NC2=CC=CC=C2)C(=O)OC)NC3=CC=CC=C3 |
| InChIKey | JAWHCRQIVXIBNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:416565 (CAS 4898-58-2), with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol. IUPAC: dimethyl 2,5-dianilinocyclohexa-1,4-diene-1,4-dicarboxylate.
Chemical Property Profile of RefChem:416565
Property Insights of RefChem:416565
The XLogP value of 4.9 indicates that RefChem:416565 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:416565. Following Lipinski's Rule of Five, RefChem:416565 has 2 hydrogen bond donor(s) and 6 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:416565?
The CAS number of RefChem:416565 is 4898-58-2.
What is the molecular formula of RefChem:416565?
The molecular formula of RefChem:416565 is C22H22N2O4.
What is the molecular weight of RefChem:416565?
The molecular weight of RefChem:416565 is 378.16 g/mol.
Where can I buy RefChem:416565?
You can request a quote for RefChem:416565 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:416565?
Yes, KEHONG BIO provides custom synthesis services for RefChem:416565 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.