2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid
TL;DR: 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid (CAS 866018-00-0) is a chemical compound with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-3-(4-methoxyanilino)-3-oxopropanoic acid
Also Known As: 2-acetamido-2-[(4-methoxyphenyl)carbamoyl]acetic Acid, 2-(acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid, 2-acetamido-3-(4-methoxyanilino)-3-oxopropanoic acid, 4R-1518, 2-acetamido-2-[(4-methoxyphenyl)carbamoyl]aceticAcid
| Molecular Formula | C12H14N2O5 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 0.223 |
| Topological Polar Surface Area | 104.73 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.09027 |
| Heavy Atoms | 19 |
| Complexity | 483.39804 |
Chemical Identifiers
| CAS Number | 866018-00-0 |
|---|---|
| SMILES | CC(=O)NC(C(=O)NC1=CC=C(C=C1)OC)C(=O)O |
Product Overview
2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid (CAS 866018-00-0), with molecular formula C12H14N2O5 and molecular weight 266.09 g/mol. IUPAC: 2-acetamido-3-(4-methoxyanilino)-3-oxopropanoic acid.
Chemical Property Profile of 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid
Property Insights of 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid
The XLogP value of 0.223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid. The TPSA of 104.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid. Following Lipinski's Rule of Five, 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid 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 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid?
The CAS number of 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid is 866018-00-0.
What is the molecular formula of 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid?
The molecular formula of 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid is C12H14N2O5.
What is the molecular weight of 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid?
The molecular weight of 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid is 266.09 g/mol.
Where can I buy 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid?
You can request a quote for 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Acetylamino)-3-(4-methoxyanilino)-3-oxopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.