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 606.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C33H48Cl2N2O4 |
|---|---|
| Molecular Weight | 606.30 g/mol |
| LogP | 6.9875 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 606.29913 |
| Heavy Atoms | 41 |
| Complexity | 948.70337 |
Chemical Identifiers
| CAS Number | 104802-66-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C(CC(CN2CCCCCC2)C(=O)C3=CC=C(C=C3)OC)CN4CCCCCC4.Cl.Cl |
Product Overview
ethyl 4-formylcyclohexane-1-carboxylate (CAS 104802-66-6), with molecular formula C33H48Cl2N2O4 and molecular weight 606.30 g/mol. IUPAC: 2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride.
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 59.08 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 0 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 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 606.30 g/mol.
Where can I buy ethyl 4-formylcyclohexane-1-carboxylate?
You can request a quote for ethyl 4-formylcyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-formylcyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-formylcyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.