吡哆醛二磷酸酯
TL;DR: 吡哆醛二磷酸酯 (CAS 6939-59-9) is a chemical compound with molecular formula C8H11NO9P2 and molecular weight 326.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡哆醛二磷酸酯
(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl phosphono hydrogen phosphate
Also Known As: Pyridoxal diphosphate, Pyridoxal pyrophosphate, Pyridoxal-5'-Diphosphate, KST-1A7601, (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl trihydrogendiphosphate
| Molecular Formula | C8H11NO9P2 |
|---|---|
| Molecular Weight | 326.99 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.9909 |
| Heavy Atoms | 20 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 6939-59-9 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=O)COP(=O)(O)OP(=O)(O)O |
| InChIKey | BLPOUZDLIYAHLN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡哆醛二磷酸酯 (CAS 6939-59-9), with molecular formula C8H11NO9P2 and molecular weight 326.99 g/mol. IUPAC: (4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl phosphono hydrogen phosphate.
Chemical Property Profile of 吡哆醛二磷酸酯
Property Insights of 吡哆醛二磷酸酯
The XLogP value of -2.2 indicates that 吡哆醛二磷酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting 吡哆醛二磷酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 吡哆醛二磷酸酯 has 4 hydrogen bond donor(s) and 10 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 吡哆醛二磷酸酯?
The CAS number of 吡哆醛二磷酸酯 is 6939-59-9.
What is the molecular formula of 吡哆醛二磷酸酯?
The molecular formula of 吡哆醛二磷酸酯 is C8H11NO9P2.
What is the molecular weight of 吡哆醛二磷酸酯?
The molecular weight of 吡哆醛二磷酸酯 is 326.99 g/mol.
Where can I buy 吡哆醛二磷酸酯?
You can request a quote for 吡哆醛二磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡哆醛二磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 吡哆醛二磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.