1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate
TL;DR: 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate (CAS 69517-62-0) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-acetamido-4,5-dimethylphenoxy)-4-oxobutanoic acid
Also Known As: 2-beta-Carboxypropionyl-4,5-dimethylacetanilide, Succinic acid, (2-acetamido-4,5-dimethylphenyl)ester, Acetanilide, 2-beta-carboxypropionyl-4,5-dimethyl-, 3,4-Xylidine, N-acetyl-6-(beta-carboxypropionyl)-, 4-(2-acetamido-4,5-dimethylphenoxy)-4-oxobutanoic acid
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 2.03204 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 550.7404 |
Chemical Identifiers
| CAS Number | 69517-62-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)OC(=O)CCC(=O)O)NC(=O)C |
Product Overview
1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate (CAS 69517-62-0), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: 4-(2-acetamido-4,5-dimethylphenoxy)-4-oxobutanoic acid.
Chemical Property Profile of 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate
Property Insights of 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate
The XLogP value of 2.03204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate. Following Lipinski's Rule of Five, 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate 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 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate?
The CAS number of 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate is 69517-62-0.
What is the molecular formula of 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate?
The molecular formula of 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate is C14H17NO5.
What is the molecular weight of 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate?
The molecular weight of 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate is 279.11 g/mol.
Where can I buy 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate?
You can request a quote for 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(Acetylamino)-4,5-dimethylphenyl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.