EINECS 261-478-6
TL;DR: EINECS 261-478-6 (CAS 58873-16-8) is a chemical compound with molecular formula C26H42N2O10 and molecular weight 542.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[5-[(3-ethoxy-2-ethoxycarbonyl-3-oxopropanoyl)amino]-2,4,4-trimethylcyclohexyl]methylcarbamoyl]propanedioate
Also Known As: Diethyl (((3-(((3-ethoxy-2-(ethoxycarbonyl)-1,3-dioxopropyl)amino)methyl)-3,5,5-trimethylcyclohexyl)amino)carbonyl)malonate, 3-Ethoxy-2-(ethoxycarbonyl)-N-[5-({[3-ethoxy-2-(ethoxycarbonyl)-1-hydroxy-3-oxopropylidene]amino}methyl)-2,2,4-trimethylcyclohexyl]-3-oxopropanimidic acid, diethyl 2-[[5-[(3-ethoxy-2-ethoxycarbonyl-3-oxopropanoyl)amino]-1,3,3-trimethylcyclohexyl]methylcarbamoyl]propanedioate, diethyl 2-[[5-[(3-ethoxy-2-ethoxycarbonyl-3-oxopropanoyl)amino]-2,4,4-trimethylcyclohexyl]methylcarbamoyl]propanedioate, Propanedioic acid,[[[3-[[[3-ethoxy-2-(ethoxycarbonyl)-1,3-dioxopropyl]amino]methyl]-3,5,5-trimethylcyclohexyl]amino]carbonyl]-,diethyl ester (9CI)
| Molecular Formula | C26H42N2O10 |
|---|---|
| Molecular Weight | 542.28 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 17 |
| Exact Mass | 542.28394 |
| Heavy Atoms | 38 |
| Complexity | 836.0 |
Chemical Identifiers
| CAS Number | 58873-16-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)NCC1CC(C(CC1C)(C)C)NC(=O)C(C(=O)OCC)C(=O)OCC)C(=O)OCC |
| InChIKey | XVOSOGKEEMBJPN-UHFFFAOYSA-N |
Product Overview
EINECS 261-478-6 (CAS 58873-16-8), with molecular formula C26H42N2O10 and molecular weight 542.28 g/mol. IUPAC: diethyl 2-[[5-[(3-ethoxy-2-ethoxycarbonyl-3-oxopropanoyl)amino]-2,4,4-trimethylcyclohexyl]methylcarbamoyl]propanedioate.
Chemical Property Profile of EINECS 261-478-6
Property Insights of EINECS 261-478-6
The XLogP value of 4.0 indicates that EINECS 261-478-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting EINECS 261-478-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 261-478-6 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 261-478-6?
The CAS number of EINECS 261-478-6 is 58873-16-8.
What is the molecular formula of EINECS 261-478-6?
The molecular formula of EINECS 261-478-6 is C26H42N2O10.
What is the molecular weight of EINECS 261-478-6?
The molecular weight of EINECS 261-478-6 is 542.28 g/mol.
Where can I buy EINECS 261-478-6?
You can request a quote for EINECS 261-478-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 261-478-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 261-478-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.