ethyl 4-formylcyclohexane-1-carboxylate
TL;DR: ethyl 4-formylcyclohexane-1-carboxylate (CAS 104802-66-6) is a chemical compound with molecular formula C33H48Cl2N2O4 and molecular weight 606.29913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
Also Known As: ethyl 4-formylcyclohexane-1-carboxylate, 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione 2HCl, 1,5-Pentanedione, 2,4-bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-methoxyphenyl)-, dihydrochloride, 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione dihydrochloride, 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
Technical Specifications
| Molecular Formula | C33H48Cl2N2O4 |
| Molecular Weight | 606.29913 g/mol |
| XLogP | 6.9875 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 606.29913 Da |
| Heavy Atoms | 41 |
| Complexity | 653.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(CC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OC)CN4CCCCCC4.Cl.Cl |
| InChIKey | HRBHZNQAYJPLLV-UHFFFAOYSA-N |
Product Description
Applications: AC1MI7WC is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI7WC (CAS 104802-66-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1MI7WC (CAS 104802-66-6) is a fine chemical with the molecular formula C33H48Cl2N2O4 and a molecular weight of 606.3 g/mol. It is also known as ethyl 4-formylcyclohexane-1-carboxylate and 2,4-Bis((hexahydro-1H-azepin-1-yl)methyl)-1,5-bis(4-methoxyphenyl)-1,5-pentanedione 2HCl.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of ethyl 4-formylcyclohexane-1-carboxylate
Property Insights of ethyl 4-formylcyclohexane-1-carboxylate
The XLogP value of 6.9875 indicates that ethyl 4-formylcyclohexane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, ethyl 4-formylcyclohexane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-formylcyclohexane-1-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of ethyl 4-formylcyclohexane-1-carboxylate?
The CAS number of ethyl 4-formylcyclohexane-1-carboxylate is 104802-66-6.
What is the molecular formula of ethyl 4-formylcyclohexane-1-carboxylate?
The molecular formula of ethyl 4-formylcyclohexane-1-carboxylate is C33H48Cl2N2O4.
What is the molecular weight of ethyl 4-formylcyclohexane-1-carboxylate?
The molecular weight of ethyl 4-formylcyclohexane-1-carboxylate is 606.29913 g/mol.
What are the applications of ethyl 4-formylcyclohexane-1-carboxylate?
AC1MI7WC is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MI7WC (CAS 104802-66-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy ethyl 4-formylcyclohexane-1-carboxylate?
You can request a quote for ethyl 4-formylcyclohexane-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-formylcyclohexane-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-formylcyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.