RefChem:1063452
TL;DR: RefChem:1063452 (CAS 58568-13-1) is a chemical compound with molecular formula C20H37NO9 and molecular weight 435.25 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-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylazanium
Also Known As: 5,5-Dimethylhexanoic acid 2-(diethylamino)ethyl ester citrate, 5,5-Dimethylcapronsaure-beta-diaethylaminoaethylesterdihydrogencitrat [German], HEXANOIC ACID, 5,5-DIMETHYL-, 2-(DIETHYLAMINO)ETHYL ESTER, CITRATE, 5,5-Dimethylcapronsaure-beta-diaethylaminoaethylesterdihydrogencitrat, 3-carboxy-3,5-dihydroxy-5-oxopentanoate;(1-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylazanium
| Molecular Formula | C20H37NO9 |
|---|---|
| Molecular Weight | 435.25 g/mol |
| LogP | -0.91 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 435.24683 |
| Heavy Atoms | 30 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 58568-13-1 |
|---|---|
| SMILES | CC[NH+](CC)C(CCC(C)(C)C)C(=O)OCC.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O |
| InChIKey | MGHIUINRYIGFDE-UHFFFAOYSA-N |
Product Overview
RefChem:1063452 (CAS 58568-13-1), with molecular formula C20H37NO9 and molecular weight 435.25 g/mol. IUPAC: 3-carboxy-3,5-dihydroxy-5-oxopentanoate;(1-ethoxy-5,5-dimethyl-1-oxohexan-2-yl)-diethylazanium.
Chemical Property Profile of RefChem:1063452
Property Insights of RefChem:1063452
The XLogP value of -0.91 indicates that RefChem:1063452 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting RefChem:1063452 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1063452 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1063452?
The CAS number of RefChem:1063452 is 58568-13-1.
What is the molecular formula of RefChem:1063452?
The molecular formula of RefChem:1063452 is C20H37NO9.
What is the molecular weight of RefChem:1063452?
The molecular weight of RefChem:1063452 is 435.25 g/mol.
Where can I buy RefChem:1063452?
You can request a quote for RefChem:1063452 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1063452?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1063452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.