Salicylidenaminopyrimidine
TL;DR: Salicylidenaminopyrimidine (CAS 95640-83-8) is a chemical compound with molecular formula C11H9N3O and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyrimidin-2-yliminomethyl)phenol
Also Known As: salicylidenaminopyrimidine, NCIOpen2_001747, Phenol, 2-[(2-pyrimidinylimino)methyl]-, 6-[(pyrimidin-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C11H9N3O |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.07455 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 95640-83-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=NC=CC=N2)O |
| InChIKey | QESWMXMVUAYGEI-UHFFFAOYSA-N |
Product Overview
Salicylidenaminopyrimidine (CAS 95640-83-8), with molecular formula C11H9N3O and molecular weight 199.07 g/mol. IUPAC: 2-(pyrimidin-2-yliminomethyl)phenol.
Chemical Property Profile of Salicylidenaminopyrimidine
Property Insights of Salicylidenaminopyrimidine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylidenaminopyrimidine. With a topological polar surface area (TPSA) of 58.4 Ų, Salicylidenaminopyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Salicylidenaminopyrimidine has 1 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 Salicylidenaminopyrimidine?
The CAS number of Salicylidenaminopyrimidine is 95640-83-8.
What is the molecular formula of Salicylidenaminopyrimidine?
The molecular formula of Salicylidenaminopyrimidine is C11H9N3O.
What is the molecular weight of Salicylidenaminopyrimidine?
The molecular weight of Salicylidenaminopyrimidine is 199.07 g/mol.
Where can I buy Salicylidenaminopyrimidine?
You can request a quote for Salicylidenaminopyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylidenaminopyrimidine?
Yes, KEHONG BIO provides custom synthesis services for Salicylidenaminopyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.