4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline
TL;DR: 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline (CAS 126706-34-1) is a chemical compound with molecular formula C13H17N2O9P and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]pyrrolidine-2,4-dicarboxylic acid
Also Known As: DPPP, 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline, 4,4-dicarboxy-5-(pyridoxyl-5/'-phosphate)proline, 2,4-Pyrrolidinedicarboxylicacid, 5-[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]-, 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]pyrrolidine-2,4-dicarboxylic acid
| Molecular Formula | C13H17N2O9P |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | -0.10668 |
| Topological Polar Surface Area | 186.51 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 376.06717 |
| Heavy Atoms | 25 |
| Complexity | 747.2604 |
Chemical Identifiers
| CAS Number | 126706-34-1 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C2C(CC(N2)C(=O)O)C(=O)O)COP(=O)(O)O |
Product Overview
4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline (CAS 126706-34-1), with molecular formula C13H17N2O9P and molecular weight 376.07 g/mol. IUPAC: 5-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]pyrrolidine-2,4-dicarboxylic acid.
Chemical Property Profile of 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline
Property Insights of 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline
The XLogP value of -0.10668 indicates that 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.51 Ų indicates high polarity, suggesting 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline has 6 hydrogen bond donor(s) and 7 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-(pyridoxyl-5'-phosphate)proline?
The CAS number of 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline is 126706-34-1.
What is the molecular formula of 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline?
The molecular formula of 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline is C13H17N2O9P.
What is the molecular weight of 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline?
The molecular weight of 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline is 376.07 g/mol.
Where can I buy 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline?
You can request a quote for 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline 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-(pyridoxyl-5'-phosphate)proline?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dicarboxy-5-(pyridoxyl-5'-phosphate)proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.