![3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid structure](/static/products/1224/1224166-72-6.webp)
3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid
TL;DR: 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid (CAS 1224166-72-6) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid
Also Known As: N-(3,4-dimethoxybenzyl)-beta-alanine, 3-((3,4-Dimethoxybenzyl)amino)propanoic acid, 3-(3,4-Dimethoxy-benzylamino)-propionic acid, 3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid, 3-{[(3,4-DIMETHOXYPHENYL)METHYL]AMINO}PROPANOIC ACID
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 1224166-72-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNCCC(=O)O)OC |
| InChIKey | QVZCXKFEFBZSFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid (CAS 1224166-72-6), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid.
Chemical Property Profile of 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid
Property Insights of 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid
The XLogP value of -1.9 indicates that 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid. Following Lipinski's Rule of Five, 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid has 2 hydrogen bond donor(s) and 5 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 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid?
The CAS number of 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid is 1224166-72-6.
What is the molecular formula of 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid?
The molecular formula of 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid is C12H17NO4.
What is the molecular weight of 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid?
The molecular weight of 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid is 239.12 g/mol.
Where can I buy 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid?
You can request a quote for 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-Dimethoxyphenyl)methylamino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.