Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate
TL;DR: Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate (CAS 161265-92-5) is a chemical compound with molecular formula C25H27NO4 and molecular weight 405.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-anilino-6-methyl-2-phenylcyclohexa-3,5-diene-1,3-dicarboxylate
Also Known As: diethyl 3-methyl-5-(phenylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate, diethyl 4-anilino-6-methyl-2-phenylcyclohexa-3,5-diene-1,3-dicarboxylate, diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate
| Molecular Formula | C25H27NO4 |
|---|---|
| Molecular Weight | 405.19 g/mol |
| LogP | 4.8387 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.194 |
| Heavy Atoms | 30 |
| Complexity | 947.6286 |
Chemical Identifiers
| CAS Number | 161265-92-5 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(C=C1C)NC2=CC=CC=C2)C(=O)OCC)C3=CC=CC=C3 |
Product Overview
Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate (CAS 161265-92-5), with molecular formula C25H27NO4 and molecular weight 405.19 g/mol. IUPAC: diethyl 4-anilino-6-methyl-2-phenylcyclohexa-3,5-diene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate
Property Insights of Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate
The XLogP value of 4.8387 indicates that Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate has 1 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 Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate?
The CAS number of Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate is 161265-92-5.
What is the molecular formula of Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate?
The molecular formula of Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate is C25H27NO4.
What is the molecular weight of Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate?
The molecular weight of Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate is 405.19 g/mol.
Where can I buy Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate?
You can request a quote for Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 6-methyl-2-phenyl-4-(phenylamino)cyclohexa-3,5-diene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.