![[[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea structure](/static/products/781/781-66-8.webp)
[[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea
TL;DR: [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea (CAS 781-66-8) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea
Also Known As: Pyridoxal semicarbazone, [[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-pyridin-4-ylidene]methyl]amino]urea
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 781-66-8 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)C=NNC(=O)N)CO |
| InChIKey | IGAITZANDFTCMJ-UHFFFAOYSA-N |
Product Overview
[[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea (CAS 781-66-8), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: [[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea.
Chemical Property Profile of [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea
Property Insights of [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea
The XLogP value of -1.3 indicates that [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea. Following Lipinski's Rule of Five, [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea has 4 hydrogen bond donor(s) and 5 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 [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea?
The CAS number of [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea is 781-66-8.
What is the molecular formula of [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea?
The molecular formula of [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea is C9H12N4O3.
What is the molecular weight of [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea?
The molecular weight of [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea is 224.09 g/mol.
Where can I buy [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea?
You can request a quote for [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea?
Yes, KEHONG BIO provides custom synthesis services for [[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylideneamino]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.