diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate
TL;DR: diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate (CAS 317342-27-1) is a chemical compound with molecular formula C25H28BrNO5 and molecular weight 501.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate
Also Known As: diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate, A1984/0083414, diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate, 1,3-DIETHYL 2-(4-BROMOPHENYL)-6-HYDROXY-6-METHYL-4-(PHENYLAMINO)CYCLOHEX-3-ENE-1,3-DICARBOXYLATE, 2-(4-Bromo-phenyl)-6-hydroxy-6-methyl-4-phenylamino-cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester
| Molecular Formula | C25H28BrNO5 |
|---|---|
| Molecular Weight | 501.12 g/mol |
| LogP | 4.796 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.11508 |
| Heavy Atoms | 32 |
| Complexity | 985.1517 |
Chemical Identifiers
| CAS Number | 317342-27-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=CC=C2)C(=O)OCC)C3=CC=C(C=C3)Br |
Product Overview
diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate (CAS 317342-27-1), with molecular formula C25H28BrNO5 and molecular weight 501.12 g/mol. IUPAC: diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate.
Chemical Property Profile of diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate
Property Insights of diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate
The XLogP value of 4.796 indicates that diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate. Following Lipinski's Rule of Five, diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate 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 diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate?
The CAS number of diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate is 317342-27-1.
What is the molecular formula of diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate?
The molecular formula of diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate is C25H28BrNO5.
What is the molecular weight of diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate?
The molecular weight of diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate is 501.12 g/mol.
Where can I buy diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate?
You can request a quote for diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-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 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 4-anilino-2-(4-bromophenyl)-6-hydroxy-6-methyl-3-cyclohexene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.