![N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine structure](/static/products/826/82645-12-3.png)
N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine
TL;DR: N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine (CAS 82645-12-3) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid
Also Known As: N-(2-Hydroxy-3,5-dimethylbenzyl)-beta-alanine, N-(2-Hydroxy-3,5-dimethylbenzyl)-beta-alanine #, N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine, N-(2-Hydroxy-3,5-dimethylbenzyl)-.beta.-aminopropanoic acid, N-((2-Hydroxy-3,5-dimethylphenyl)methyl)-beta-alanine
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 82645-12-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)CNCCC(=O)O)O)C |
| InChIKey | IEKAZYAHOKRIPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine (CAS 82645-12-3), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: 3-[(2-hydroxy-3,5-dimethylphenyl)methylamino]propanoic acid.
Chemical Property Profile of N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine
Property Insights of N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine
The XLogP value of -0.6 indicates that N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine. Following Lipinski's Rule of Five, N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine 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 N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine?
The CAS number of N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine is 82645-12-3.
What is the molecular formula of N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine?
The molecular formula of N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine is C12H17NO3.
What is the molecular weight of N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine?
The molecular weight of N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine is 223.12 g/mol.
Where can I buy N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine?
You can request a quote for N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-Hydroxy-3,5-dimethylphenyl)methyl]-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.