4,4-Dicarboxy-5-pyridoxylproline
TL;DR: 4,4-Dicarboxy-5-pyridoxylproline (CAS 126709-14-6) is a chemical compound with molecular formula C14H16N2O8 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]pyrrolidine-2,4,4-tricarboxylic acid
Also Known As: DCPP, 4,4-Dicarboxy-5-pyridoxylproline, 5-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid, 1-Azi-2,3,4,6-tetra-O-benzyl-1-deoxy-D-glucopyranose, 2,4,4-Pyrrolidinetricarboxylicacid, 5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-
| Molecular Formula | C14H16N2O8 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.09067 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 126709-14-6 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C2C(CC(N2)C(=O)O)(C(=O)O)C(=O)O)CO |
| InChIKey | BZXXHPRNZPEDLQ-UHFFFAOYSA-N |
Product Overview
4,4-Dicarboxy-5-pyridoxylproline (CAS 126709-14-6), with molecular formula C14H16N2O8 and molecular weight 340.09 g/mol. IUPAC: 5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]pyrrolidine-2,4,4-tricarboxylic acid.
Chemical Property Profile of 4,4-Dicarboxy-5-pyridoxylproline
Property Insights of 4,4-Dicarboxy-5-pyridoxylproline
The XLogP value of -4.0 indicates that 4,4-Dicarboxy-5-pyridoxylproline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting 4,4-Dicarboxy-5-pyridoxylproline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4-Dicarboxy-5-pyridoxylproline has 6 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 4,4-Dicarboxy-5-pyridoxylproline?
The CAS number of 4,4-Dicarboxy-5-pyridoxylproline is 126709-14-6.
What is the molecular formula of 4,4-Dicarboxy-5-pyridoxylproline?
The molecular formula of 4,4-Dicarboxy-5-pyridoxylproline is C14H16N2O8.
What is the molecular weight of 4,4-Dicarboxy-5-pyridoxylproline?
The molecular weight of 4,4-Dicarboxy-5-pyridoxylproline is 340.09 g/mol.
Where can I buy 4,4-Dicarboxy-5-pyridoxylproline?
You can request a quote for 4,4-Dicarboxy-5-pyridoxylproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dicarboxy-5-pyridoxylproline?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dicarboxy-5-pyridoxylproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.