RefChem:1063441
TL;DR: RefChem:1063441 (CAS 69815-36-7) is a chemical compound with molecular formula C29H37NO10 and molecular weight 559.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-carboxy-3,5-dihydroxy-5-oxopentanoate;(1-ethylpyrrolidin-1-ium-3-yl)methyl 2-ethoxy-2,2-diphenylacetate
Also Known As: Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-3-pyrrolidinyl)methyl ester, citrate, 2,2-Diphenyl-2-ethoxyacetic acid (1-ethyl-3-pyrrolidinyl)methyl ester citrate, 2-Hydroxypropane-1,2,3-tricarboxylic acid--(1-ethylpyrrolidin-3-yl)methyl ethoxy(diphenyl)acetate (1/1), 3-carboxy-3,5-dihydroxy-5-oxopentanoate; (1-ethylpyrrolidin-1-ium-3-yl)methyl 2-ethoxy-2,2-diphenylacetate, RefChem:1063441
| Molecular Formula | C29H37NO10 |
|---|---|
| Molecular Weight | 559.24 g/mol |
| LogP | -0.15 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 559.24176 |
| Heavy Atoms | 40 |
| Complexity | 676.0 |
Chemical Identifiers
| CAS Number | 69815-36-7 |
|---|---|
| SMILES | CC[NH+]1CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O |
| InChIKey | GHMPIZOAARYDHB-UHFFFAOYSA-N |
Product Overview
RefChem:1063441 (CAS 69815-36-7), with molecular formula C29H37NO10 and molecular weight 559.24 g/mol. IUPAC: 3-carboxy-3,5-dihydroxy-5-oxopentanoate;(1-ethylpyrrolidin-1-ium-3-yl)methyl 2-ethoxy-2,2-diphenylacetate.
Chemical Property Profile of RefChem:1063441
Property Insights of RefChem:1063441
The XLogP value of -0.15 indicates that RefChem:1063441 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting RefChem:1063441 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063441 has 4 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 RefChem:1063441?
The CAS number of RefChem:1063441 is 69815-36-7.
What is the molecular formula of RefChem:1063441?
The molecular formula of RefChem:1063441 is C29H37NO10.
What is the molecular weight of RefChem:1063441?
The molecular weight of RefChem:1063441 is 559.24 g/mol.
Where can I buy RefChem:1063441?
You can request a quote for RefChem:1063441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.