o-Vanillinsemicarbazone
TL;DR: o-Vanillinsemicarbazone (CAS 58336-41-7) is a chemical compound with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
Also Known As: o-vanillinsemicarbazone, {[(2-hydroxy-3-methoxyphenyl)methylidene]amino}urea, [(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]urea, Hydrazinecarboxamide, 2-[(2-hydroxy-3-methoxyphenyl)methylene]-
| Molecular Formula | C9H11N3O3 |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08005 |
| Heavy Atoms | 15 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 58336-41-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)C=NNC(=O)N |
| InChIKey | AKOBNBQXPXQGHZ-UHFFFAOYSA-N |
Product Overview
o-Vanillinsemicarbazone (CAS 58336-41-7), with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol. IUPAC: [(2-hydroxy-3-methoxyphenyl)methylideneamino]urea.
Chemical Property Profile of o-Vanillinsemicarbazone
Property Insights of o-Vanillinsemicarbazone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Vanillinsemicarbazone. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Vanillinsemicarbazone. Following Lipinski's Rule of Five, o-Vanillinsemicarbazone has 3 hydrogen bond donor(s) and 4 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 o-Vanillinsemicarbazone?
The CAS number of o-Vanillinsemicarbazone is 58336-41-7.
What is the molecular formula of o-Vanillinsemicarbazone?
The molecular formula of o-Vanillinsemicarbazone is C9H11N3O3.
What is the molecular weight of o-Vanillinsemicarbazone?
The molecular weight of o-Vanillinsemicarbazone is 209.08 g/mol.
Where can I buy o-Vanillinsemicarbazone?
You can request a quote for o-Vanillinsemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Vanillinsemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for o-Vanillinsemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.