![beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid structure](/static/products/3320/332052-74-1.webp)
beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid
TL;DR: beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid (CAS 332052-74-1) is a chemical compound with molecular formula C18H18FNO5 and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid
Also Known As: 3-(3,4-Dimethoxyphenyl)-3-(4-fluorobenzamido)propanoic acid, 3-(3,4-DIMETHOXYPHENYL)-3-[(4-FLUORO-BENZOYL)AMINO]PROPANOIC ACID, BAS 00866827, 3-(3,4-dimethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid, 3-(3,4-dimethoxyphenyl)-3-[(4-fluorophenyl)formamido]propanoic acid
| Molecular Formula | C18H18FNO5 |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 2.7887 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 347.1169 |
| Heavy Atoms | 25 |
| Complexity | 760.56177 |
Chemical Identifiers
| CAS Number | 332052-74-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)F)OC |
Product Overview
beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid (CAS 332052-74-1), with molecular formula C18H18FNO5 and molecular weight 347.12 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-3-[(4-fluorobenzoyl)amino]propanoic acid.
Chemical Property Profile of beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid
Property Insights of beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid
The XLogP value of 2.7887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid. Following Lipinski's Rule of Five, beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid 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 beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid?
The CAS number of beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid is 332052-74-1.
What is the molecular formula of beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid?
The molecular formula of beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid is C18H18FNO5.
What is the molecular weight of beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid?
The molecular weight of beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid is 347.12 g/mol.
Where can I buy beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid?
You can request a quote for beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-[(4-Fluorobenzoyl)amino]-3,4-dimethoxybenzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.