N-(2-hydroxybenzylidene)valine
TL;DR: N-(2-hydroxybenzylidene)valine (CAS 53100-46-2) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxyphenyl)methylideneamino]-3-methylbutanoic acid
Also Known As: N-(2-hydroxybenzylidene)valine, J1.122.531D, J3.035.206H, 2-[(2-Hydroxybenzylidene)amino]isovaleric acid, 2-(2-Hydroxybenzylideneamino)-3-methylbutanoic acid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 53100-46-2 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N=CC1=CC=CC=C1O |
| InChIKey | RUNAUAUFPNXLFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-hydroxybenzylidene)valine (CAS 53100-46-2), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: 2-[(2-hydroxyphenyl)methylideneamino]-3-methylbutanoic acid.
Chemical Property Profile of N-(2-hydroxybenzylidene)valine
Property Insights of N-(2-hydroxybenzylidene)valine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-hydroxybenzylidene)valine. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-hydroxybenzylidene)valine. Following Lipinski's Rule of Five, N-(2-hydroxybenzylidene)valine has 2 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 N-(2-hydroxybenzylidene)valine?
The CAS number of N-(2-hydroxybenzylidene)valine is 53100-46-2.
What is the molecular formula of N-(2-hydroxybenzylidene)valine?
The molecular formula of N-(2-hydroxybenzylidene)valine is C12H15NO3.
What is the molecular weight of N-(2-hydroxybenzylidene)valine?
The molecular weight of N-(2-hydroxybenzylidene)valine is 221.11 g/mol.
Where can I buy N-(2-hydroxybenzylidene)valine?
You can request a quote for N-(2-hydroxybenzylidene)valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-hydroxybenzylidene)valine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-hydroxybenzylidene)valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.