2-Oxopropyl 3-(acetylamino)-4-methylbenzoate
TL;DR: 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate (CAS 664976-23-2) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxopropyl 3-acetamido-4-methylbenzoate
Also Known As: 2-oxopropyl 3-(acetylamino)-4-methylbenzoate, 2-oxopropyl 3-acetamido-4-methylbenzoate
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.69922 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 493.76465 |
Chemical Identifiers
| CAS Number | 664976-23-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)OCC(=O)C)NC(=O)C |
Product Overview
2-Oxopropyl 3-(acetylamino)-4-methylbenzoate (CAS 664976-23-2), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: 2-oxopropyl 3-acetamido-4-methylbenzoate.
Chemical Property Profile of 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate
Property Insights of 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate
The XLogP value of 1.69922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate. Following Lipinski's Rule of Five, 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate has 1 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 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate?
The CAS number of 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate is 664976-23-2.
What is the molecular formula of 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate?
The molecular formula of 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate is C13H15NO4.
What is the molecular weight of 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate?
The molecular weight of 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate is 249.10 g/mol.
Where can I buy 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate?
You can request a quote for 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxopropyl 3-(acetylamino)-4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.