3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium
TL;DR: 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium (CAS 17671-50-0) is a chemical compound with molecular formula C11H19NO9 and molecular weight 309.11 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;carboxymethyl(trimethyl)azanium
Also Known As: Betaine citrate, Citric acid betaine, Methanaminium, 1-carboxy-N,N,N-trimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), 3-carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium, carboxy-n,n,n-trimethylmethanaminium 3,4-dicarboxy-3-hydroxybutanoate
| Molecular Formula | C11H19NO9 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | -2.81 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.106 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 17671-50-0 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)O.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O |
| InChIKey | YKXUOESQDCXGIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium (CAS 17671-50-0), with molecular formula C11H19NO9 and molecular weight 309.11 g/mol. IUPAC: 3-carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium.
Chemical Property Profile of 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium
Property Insights of 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium
The XLogP value of -2.81 indicates that 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 172.0 Ų indicates high polarity, suggesting 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium 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 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium?
The CAS number of 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium is 17671-50-0.
What is the molecular formula of 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium?
The molecular formula of 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium is C11H19NO9.
What is the molecular weight of 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium?
The molecular weight of 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium is 309.11 g/mol.
Where can I buy 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium?
You can request a quote for 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium?
Yes, KEHONG BIO provides custom synthesis services for 3-Carboxy-3,5-dihydroxy-5-oxopentanoate;carboxymethyl(trimethyl)azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.