amino}benzoate structure](/static/products/6859/6859-37-6.webp)
Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate
TL;DR: Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate (CAS 6859-37-6) is a chemical compound with molecular formula C29H37NO7 and molecular weight 511.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl-formylamino]benzoate
Also Known As: ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate, ethyl 4-[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl-for, ethyl 4-[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl-formylamino]benzoate, Ethyl 4-{N-[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl]formamido}benzoate
| Molecular Formula | C29H37NO7 |
|---|---|
| Molecular Weight | 511.26 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.257 |
| Heavy Atoms | 37 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 6859-37-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N(CCC(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C)C=O |
| InChIKey | MUGYLLUVBCWSJG-UHFFFAOYSA-N |
Product Overview
Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate (CAS 6859-37-6), with molecular formula C29H37NO7 and molecular weight 511.26 g/mol. IUPAC: ethyl 4-[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl-formylamino]benzoate.
Chemical Property Profile of Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate
Property Insights of Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate
The XLogP value of 3.4 indicates that Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate has 0 hydrogen bond donor(s) and 7 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-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate?
The CAS number of Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate is 6859-37-6.
What is the molecular formula of Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate?
The molecular formula of Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate is C29H37NO7.
What is the molecular weight of Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate?
The molecular weight of Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate is 511.26 g/mol.
Where can I buy Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate?
You can request a quote for Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl](formyl)amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.