![3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid structure](/static/products/4406/440673-80-3.webp)
3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid
TL;DR: 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid (CAS 440673-80-3) is a chemical compound with molecular formula C14H19NO6 and molecular weight 297.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[N-(2-carboxyethyl)-3,4-dimethoxyanilino]propanoic acid
Also Known As: 3-[(2-carboxyethyl)-3,4-dimethoxyanilino]propanoic acid, AQ-099/42181991, 3-[N-(2-carboxyethyl)-3,4-dimethoxyanilino]propanoic acid
| Molecular Formula | C14H19NO6 |
|---|---|
| Molecular Weight | 297.12 g/mol |
| LogP | 1.4596 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 297.12125 |
| Heavy Atoms | 21 |
| Complexity | 484.23764 |
Chemical Identifiers
| CAS Number | 440673-80-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N(CCC(=O)O)CCC(=O)O)OC |
Product Overview
3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid (CAS 440673-80-3), with molecular formula C14H19NO6 and molecular weight 297.12 g/mol. IUPAC: 3-[N-(2-carboxyethyl)-3,4-dimethoxyanilino]propanoic acid.
Chemical Property Profile of 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid
Property Insights of 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid
The XLogP value of 1.4596 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid. Following Lipinski's Rule of Five, 3-[(2-Carboxyethyl)-3,4-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-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid?
The CAS number of 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid is 440673-80-3.
What is the molecular formula of 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid?
The molecular formula of 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid is C14H19NO6.
What is the molecular weight of 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid?
The molecular weight of 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid is 297.12 g/mol.
Where can I buy 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid?
You can request a quote for 3-[(2-Carboxyethyl)-3,4-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-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Carboxyethyl)-3,4-dimethoxyanilino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.