Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate
TL;DR: Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 42013-69-4) is a chemical compound with molecular formula C31H39NO10 and molecular weight 585.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;2-(2-piperidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate, 2-[2-(piperidin-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropanecarboxylate 2-hydroxypropane-1,2,3-tricarboxylate(1:1), 2-hydroxypropane-1,2,3-tricarboxylic acid,2-(2-piperidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--2-[2-(piperidin-1-yl)ethoxy]ethyl 2,2-diphenylcyclopropane-1-carboxylate (1/1), 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-(2-piperidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate
| Molecular Formula | C31H39NO10 |
|---|---|
| Molecular Weight | 585.26 g/mol |
| LogP | 2.7898 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 585.2574 |
| Heavy Atoms | 42 |
| Complexity | 714.0 |
Chemical Identifiers
| CAS Number | 42013-69-4 |
|---|---|
| SMILES | C1CCN(CC1)CCOCCOC(=O)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | SHNOUZFEDGTMQS-UHFFFAOYSA-N |
Product Overview
Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (CAS 42013-69-4), with molecular formula C31H39NO10 and molecular weight 585.26 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;2-(2-piperidin-1-ylethoxy)ethyl 2,2-diphenylcyclopropane-1-carboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate
Property Insights of Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate
The XLogP value of 2.7898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate. The TPSA of 171.0 Ų indicates high polarity, suggesting Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
The CAS number of Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate is 42013-69-4.
What is the molecular formula of Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular formula of Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate is C31H39NO10.
What is the molecular weight of Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
The molecular weight of Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate is 585.26 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
You can request a quote for Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(2-(1-piperidinyl)ethoxy)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.