pyridoxal-5-phosphatesemicarbazone
TL;DR: pyridoxal-5-phosphatesemicarbazone (CAS 634-27-5) is a chemical compound with molecular formula C9H13N4O6P and molecular weight 304.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(carbamoylhydrazinylidene)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate
Also Known As: pyridoxal-5-phosphatesemicarbazone
| Molecular Formula | C9H13N4O6P |
|---|---|
| Molecular Weight | 304.06 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.05728 |
| Heavy Atoms | 20 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 634-27-5 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=NNC(=O)N)COP(=O)(O)O |
| InChIKey | CGMJEDXHHYDXER-UHFFFAOYSA-N |
Product Overview
pyridoxal-5-phosphatesemicarbazone (CAS 634-27-5), with molecular formula C9H13N4O6P and molecular weight 304.06 g/mol. IUPAC: [4-[(carbamoylhydrazinylidene)methyl]-5-hydroxy-6-methyl-3-pyridinyl]methyl dihydrogen phosphate.
Chemical Property Profile of pyridoxal-5-phosphatesemicarbazone
Property Insights of pyridoxal-5-phosphatesemicarbazone
The XLogP value of -2.4 indicates that pyridoxal-5-phosphatesemicarbazone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting pyridoxal-5-phosphatesemicarbazone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pyridoxal-5-phosphatesemicarbazone has 5 hydrogen bond donor(s) and 8 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 pyridoxal-5-phosphatesemicarbazone?
The CAS number of pyridoxal-5-phosphatesemicarbazone is 634-27-5.
What is the molecular formula of pyridoxal-5-phosphatesemicarbazone?
The molecular formula of pyridoxal-5-phosphatesemicarbazone is C9H13N4O6P.
What is the molecular weight of pyridoxal-5-phosphatesemicarbazone?
The molecular weight of pyridoxal-5-phosphatesemicarbazone is 304.06 g/mol.
Where can I buy pyridoxal-5-phosphatesemicarbazone?
You can request a quote for pyridoxal-5-phosphatesemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pyridoxal-5-phosphatesemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for pyridoxal-5-phosphatesemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.