水杨醛亚胺
TL;DR: 水杨醛亚胺 (CAS 3117-61-1) is a chemical compound with molecular formula C7H7NO and molecular weight 121.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
水杨醛亚胺
2-methanimidoylphenol
Also Known As: salicylaldehyde imine, salicylaldimine, salicylideneamine, salicylideneimine, 2-(iminomethyl)phenol
| Molecular Formula | C7H7NO |
|---|---|
| Molecular Weight | 121.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.052765 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 3117-61-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=N)O |
| InChIKey | BPELEZSCHIEMAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
水杨醛亚胺 (CAS 3117-61-1), with molecular formula C7H7NO and molecular weight 121.05 g/mol. IUPAC: 2-methanimidoylphenol.
Chemical Property Profile of 水杨醛亚胺
Property Insights of 水杨醛亚胺
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 水杨醛亚胺. With a topological polar surface area (TPSA) of 44.1 Ų, 水杨醛亚胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 水杨醛亚胺 has 2 hydrogen bond donor(s) and 2 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 水杨醛亚胺?
The CAS number of 水杨醛亚胺 is 3117-61-1.
What is the molecular formula of 水杨醛亚胺?
The molecular formula of 水杨醛亚胺 is C7H7NO.
What is the molecular weight of 水杨醛亚胺?
The molecular weight of 水杨醛亚胺 is 121.05 g/mol.
Where can I buy 水杨醛亚胺?
You can request a quote for 水杨醛亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 水杨醛亚胺?
Yes, KEHONG BIO provides custom synthesis services for 水杨醛亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.