TL;DR: diethyl 3-methyl-5-(p-tolylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate (CAS 161265-93-6) is a chemical compound with molecular formula C26H29NO4 and molecular weight 419.20966 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 6-methyl-4-(4-methylanilino)-2-phenylcyclohexa-3,5-diene-1,3-dicarboxylate
Also Known As: diethyl 3-methyl-5-(p-tolylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate, diethyl 6-methyl-4-(4-methylanilino)-2-phenylcyclohexa-3,5-diene-1,3-dicarboxylate, diethyl 6-methyl-4-[(4-methylphenyl)amino]-2-phenylcyclohexa-3,5-diene-1,3-dicarboxylate
| Molecular Formula | C26H29NO4 |
| Molecular Weight | 419.20966 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.20966 Da |
| Heavy Atoms | 31 |
| Complexity | 696.0 |
| SMILES | CCOC(=O)C1C(C(=C(C=C1C)NC2=CC=C(C=C2)C)C(=O)OCC)C3=CC=CC=C3 |
| InChIKey | UJADVRXWVUZLCB-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that diethyl 3-methyl-5-(p-tolylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-methyl-5-(p-tolylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate. Following Lipinski's Rule of Five, diethyl 3-methyl-5-(p-tolylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of diethyl 3-methyl-5-(p-tolylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate is 161265-93-6.
The molecular formula of diethyl 3-methyl-5-(p-tolylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate is C26H29NO4.
The molecular weight of diethyl 3-methyl-5-(p-tolylamino)-1,2-dihydro-[1,1'-biphenyl]-2,6-dicarboxylate is 419.20966 g/mol.
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