3-(2,5-Dimethoxyanilino)propanoic acid
TL;DR: 3-(2,5-Dimethoxyanilino)propanoic acid (CAS 115170-20-2) is a chemical compound with molecular formula C11H15NO4 and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-dimethoxyanilino)propanoic acid
Also Known As: 3-(2,5-dimethoxyanilino)propanoic acid, b-Alanine, N-(2,5-dimethoxyphenyl)-, N-(2,5-dimethoxyphenyl)-beta-alanine, beta-(2,5-Dimethoxy-anilino)-propionsaeure, beta-alanine, N-(2,5-dimethoxyphenyl)-
| Molecular Formula | C11H15NO4 |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.10011 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 115170-20-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NCCC(=O)O |
| InChIKey | VLESTKDTHQLTGW-UHFFFAOYSA-N |
Product Overview
3-(2,5-Dimethoxyanilino)propanoic acid (CAS 115170-20-2), with molecular formula C11H15NO4 and molecular weight 225.10 g/mol. IUPAC: 3-(2,5-dimethoxyanilino)propanoic acid.
Chemical Property Profile of 3-(2,5-Dimethoxyanilino)propanoic acid
Property Insights of 3-(2,5-Dimethoxyanilino)propanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-Dimethoxyanilino)propanoic acid. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-Dimethoxyanilino)propanoic acid. Following Lipinski's Rule of Five, 3-(2,5-Dimethoxyanilino)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-(2,5-Dimethoxyanilino)propanoic acid?
The CAS number of 3-(2,5-Dimethoxyanilino)propanoic acid is 115170-20-2.
What is the molecular formula of 3-(2,5-Dimethoxyanilino)propanoic acid?
The molecular formula of 3-(2,5-Dimethoxyanilino)propanoic acid is C11H15NO4.
What is the molecular weight of 3-(2,5-Dimethoxyanilino)propanoic acid?
The molecular weight of 3-(2,5-Dimethoxyanilino)propanoic acid is 225.10 g/mol.
Where can I buy 3-(2,5-Dimethoxyanilino)propanoic acid?
You can request a quote for 3-(2,5-Dimethoxyanilino)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-(2,5-Dimethoxyanilino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dimethoxyanilino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.