Isopropyl 4-(isobutyrylamino)benzoate
TL;DR: Isopropyl 4-(isobutyrylamino)benzoate (CAS 448234-74-0) is a chemical compound with molecular formula C14H19NO3 and molecular weight 249.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(2-methylpropanoylamino)benzoate
Also Known As: isopropyl 4-(isobutyrylamino)benzoate, Propan-2-yl 4-(2-methylpropanoylamino)benzoate, AP-970/40791156, propan-2-yl 4-[(2-methylpropanoyl)amino]benzoate
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.8463 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 421.17017 |
Chemical Identifiers
| CAS Number | 448234-74-0 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OC(C)C |
Product Overview
Isopropyl 4-(isobutyrylamino)benzoate (CAS 448234-74-0), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: propan-2-yl 4-(2-methylpropanoylamino)benzoate.
Chemical Property Profile of Isopropyl 4-(isobutyrylamino)benzoate
Property Insights of Isopropyl 4-(isobutyrylamino)benzoate
The XLogP value of 2.8463 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 4-(isobutyrylamino)benzoate. With a topological polar surface area (TPSA) of 55.4 Ų, Isopropyl 4-(isobutyrylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 4-(isobutyrylamino)benzoate 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 Isopropyl 4-(isobutyrylamino)benzoate?
The CAS number of Isopropyl 4-(isobutyrylamino)benzoate is 448234-74-0.
What is the molecular formula of Isopropyl 4-(isobutyrylamino)benzoate?
The molecular formula of Isopropyl 4-(isobutyrylamino)benzoate is C14H19NO3.
What is the molecular weight of Isopropyl 4-(isobutyrylamino)benzoate?
The molecular weight of Isopropyl 4-(isobutyrylamino)benzoate is 249.14 g/mol.
Where can I buy Isopropyl 4-(isobutyrylamino)benzoate?
You can request a quote for Isopropyl 4-(isobutyrylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-(isobutyrylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-(isobutyrylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.