![Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate structure](/static/products/545/54559-38-5.png)
Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate
TL;DR: Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate (CAS 54559-38-5) is a chemical compound with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate
Also Known As: CBKinase1_000121, CBKinase1_012521, BAS 00606381, methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate, methyl 4-[2-(anilinocarbonyl)anilino]-4-oxobutanoate
| Molecular Formula | C18H18N2O4 |
|---|---|
| Molecular Weight | 326.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 326.12665 |
| Heavy Atoms | 24 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 54559-38-5 |
|---|---|
| SMILES | COC(=O)CCC(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 |
| InChIKey | MQKWRKLKNVSRTR-UHFFFAOYSA-N |
Product Overview
Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate (CAS 54559-38-5), with molecular formula C18H18N2O4 and molecular weight 326.13 g/mol. IUPAC: methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate.
Chemical Property Profile of Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate
Property Insights of Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate. Following Lipinski's Rule of Five, Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate 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 Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate?
The CAS number of Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate is 54559-38-5.
What is the molecular formula of Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate?
The molecular formula of Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate is C18H18N2O4.
What is the molecular weight of Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate?
The molecular weight of Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate is 326.13 g/mol.
Where can I buy Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate?
You can request a quote for Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxo-4-[2-(phenylcarbamoyl)anilino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.