磷酸吡哆醛-γ-氨基丁酸酯
TL;DR: 磷酸吡哆醛-γ-氨基丁酸酯 (CAS 63221-68-1) is a chemical compound with molecular formula C12H17N2O7P and molecular weight 332.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸吡哆醛-γ-氨基丁酸酯
4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylideneamino]butanoic acid
Also Known As: GABA-pyridoxal phosphate, Pyridoxal phosphate GABA, Pyridoxal phosphate gamma-aminobutyric acid, Pyridoxal phosphate gamma-aminobutyrate, 4-[[(E)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid
| Molecular Formula | C12H17N2O7P |
|---|---|
| Molecular Weight | 332.08 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 332.07733 |
| Heavy Atoms | 22 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 63221-68-1 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=NCCCC(=O)O)COP(=O)(O)O |
| InChIKey | SIJAQASGWDIPNC-UHFFFAOYSA-N |
Product Overview
磷酸吡哆醛-γ-氨基丁酸酯 (CAS 63221-68-1), with molecular formula C12H17N2O7P and molecular weight 332.08 g/mol. IUPAC: 4-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylideneamino]butanoic acid.
Chemical Property Profile of 磷酸吡哆醛-γ-氨基丁酸酯
Property Insights of 磷酸吡哆醛-γ-氨基丁酸酯
The XLogP value of -1.7 indicates that 磷酸吡哆醛-γ-氨基丁酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 150.0 Ų indicates high polarity, suggesting 磷酸吡哆醛-γ-氨基丁酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 磷酸吡哆醛-γ-氨基丁酸酯 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 磷酸吡哆醛-γ-氨基丁酸酯?
The CAS number of 磷酸吡哆醛-γ-氨基丁酸酯 is 63221-68-1.
What is the molecular formula of 磷酸吡哆醛-γ-氨基丁酸酯?
The molecular formula of 磷酸吡哆醛-γ-氨基丁酸酯 is C12H17N2O7P.
What is the molecular weight of 磷酸吡哆醛-γ-氨基丁酸酯?
The molecular weight of 磷酸吡哆醛-γ-氨基丁酸酯 is 332.08 g/mol.
Where can I buy 磷酸吡哆醛-γ-氨基丁酸酯?
You can request a quote for 磷酸吡哆醛-γ-氨基丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸吡哆醛-γ-氨基丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸吡哆醛-γ-氨基丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.