2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone
TL;DR: 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone (CAS 445254-95-5) is a chemical compound with molecular formula C30H38O5 and molecular weight 478.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,6Z)-2,6-bis[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one
Also Known As: 2,6-bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone, (2E,6Z)-2,6-bis[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one, 2,6-BIS[(3-ETHOXY-4-ISOPROPOXYPHENYL)METHYLENE]-1-CYCLOHEXANONE
| Molecular Formula | C30H38O5 |
|---|---|
| Molecular Weight | 478.27 g/mol |
| LogP | 7.2784 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.2719 |
| Heavy Atoms | 35 |
| Complexity | 994.6496 |
Chemical Identifiers
| CAS Number | 445254-95-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\CCC/C(=C/C3=CC(=C(C=C3)OC(C)C)OCC)/C2=O)OC(C)C |
Product Overview
2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone (CAS 445254-95-5), with molecular formula C30H38O5 and molecular weight 478.27 g/mol. IUPAC: (2E,6Z)-2,6-bis[(3-ethoxy-4-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone
Property Insights of 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone
The XLogP value of 7.2784 indicates that 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone?
The CAS number of 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone is 445254-95-5.
What is the molecular formula of 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone?
The molecular formula of 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone is C30H38O5.
What is the molecular weight of 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone?
The molecular weight of 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone is 478.27 g/mol.
Where can I buy 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone?
You can request a quote for 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.