![Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester structure](/static/products/6892/68921-70-0.webp)
Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester
TL;DR: Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester (CAS 68921-70-0) is a chemical compound with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2-acetamido-4,5-dichloroanilino)butanoate
Also Known As: methyl 4-(2-acetamido-4,5-dichloroanilino)butanoate, METHYL 4-[[2-(ACETYLAMINO)-4,5-DICHLOROPHENYL]AMINO]BUTYRATE, 2-Acetamido-N-(3-carbomethoxypropyl)-4,5-dichloroaniline, Methyl 4-((2-(acetylamino)-4,5-dichlorophenyl)amino)butyrate, methyl 4-[(2-acetamido-4,5-dichlorophenyl)amino]butanoate
| Molecular Formula | C13H16Cl2N2O3 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.0538 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 68921-70-0 |
|---|---|
| SMILES | CC(=O)NC1=CC(=C(C=C1NCCCC(=O)OC)Cl)Cl |
| InChIKey | ISHOUVWLWQRCDZ-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester (CAS 68921-70-0), with molecular formula C13H16Cl2N2O3 and molecular weight 318.05 g/mol. IUPAC: methyl 4-(2-acetamido-4,5-dichloroanilino)butanoate.
Chemical Property Profile of Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester
Property Insights of Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester. Following Lipinski's Rule of Five, Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester 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 Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester?
The CAS number of Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester is 68921-70-0.
What is the molecular formula of Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester?
The molecular formula of Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester is C13H16Cl2N2O3.
What is the molecular weight of Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester?
The molecular weight of Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester is 318.05 g/mol.
Where can I buy Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester?
You can request a quote for Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-[[2-(acetylamino)-4,5-dichlorophenyl]amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.