IDI1_029943
TL;DR: IDI1_029943 (CAS 5791-81-1) is a chemical compound with molecular formula C21H26O6 and molecular weight 374.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate
Also Known As: IDI1_029943, diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate, diethyl 4-hydroxy-4-methyl-6-oxo-2-(2-phenylvinyl)-1,3-cyclohexanedicarboxylate, (E)-diethyl 4-hydroxy-4-methyl-6-oxo-2-styrylcyclohexane-1,3-dicarboxylate, Diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethen-1-yl]cyclohexane-1,3-dicarboxylate
| Molecular Formula | C21H26O6 |
|---|---|
| Molecular Weight | 374.17 g/mol |
| LogP | 2.3984 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.17294 |
| Heavy Atoms | 27 |
| Complexity | 706.64185 |
Chemical Identifiers
| CAS Number | 5791-81-1 |
|---|---|
| SMILES | CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)/C=C/C2=CC=CC=C2 |
Product Overview
IDI1_029943 (CAS 5791-81-1), with molecular formula C21H26O6 and molecular weight 374.17 g/mol. IUPAC: diethyl 4-hydroxy-4-methyl-6-oxo-2-[(E)-2-phenylethenyl]cyclohexane-1,3-dicarboxylate.
Chemical Property Profile of IDI1_029943
Property Insights of IDI1_029943
The XLogP value of 2.3984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_029943. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_029943. Following Lipinski's Rule of Five, IDI1_029943 has 1 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 IDI1_029943?
The CAS number of IDI1_029943 is 5791-81-1.
What is the molecular formula of IDI1_029943?
The molecular formula of IDI1_029943 is C21H26O6.
What is the molecular weight of IDI1_029943?
The molecular weight of IDI1_029943 is 374.17 g/mol.
Where can I buy IDI1_029943?
You can request a quote for IDI1_029943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_029943?
Yes, KEHONG BIO provides custom synthesis services for IDI1_029943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.