Butyl 2-anilino-2-oxoacetate
TL;DR: Butyl 2-anilino-2-oxoacetate (CAS 38285-80-2) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-anilino-2-oxoacetate
Also Known As: butyl 2-anilino-2-oxoacetate, butyl 2-oxo-2-(phenylamino)acetate, F1682-0042
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 1.9684 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 348.54132 |
Chemical Identifiers
| CAS Number | 38285-80-2 |
|---|---|
| SMILES | CCCCOC(=O)C(=O)NC1=CC=CC=C1 |
Product Overview
Butyl 2-anilino-2-oxoacetate (CAS 38285-80-2), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: butyl 2-anilino-2-oxoacetate.
Chemical Property Profile of Butyl 2-anilino-2-oxoacetate
Property Insights of Butyl 2-anilino-2-oxoacetate
The XLogP value of 1.9684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-anilino-2-oxoacetate. With a topological polar surface area (TPSA) of 55.4 Ų, Butyl 2-anilino-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-anilino-2-oxoacetate has 1 hydrogen bond donor(s) and 3 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 Butyl 2-anilino-2-oxoacetate?
The CAS number of Butyl 2-anilino-2-oxoacetate is 38285-80-2.
What is the molecular formula of Butyl 2-anilino-2-oxoacetate?
The molecular formula of Butyl 2-anilino-2-oxoacetate is C12H15NO3.
What is the molecular weight of Butyl 2-anilino-2-oxoacetate?
The molecular weight of Butyl 2-anilino-2-oxoacetate is 221.11 g/mol.
Where can I buy Butyl 2-anilino-2-oxoacetate?
You can request a quote for Butyl 2-anilino-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-anilino-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-anilino-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.