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Methyl 2-[(4-tert-butylbenzoyl)amino]acetate
TL;DR: Methyl 2-[(4-tert-butylbenzoyl)amino]acetate (CAS 64480-71-3) 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.
methyl 2-[(4-tert-butylbenzoyl)amino]acetate
Also Known As: methyl 2-[(4-tert-butylbenzoyl)amino]acetate, methyl N-[(4-tert-butylphenyl)carbonyl]glycinate, methyl 2-{[4-(tert-butyl)phenyl]carbonylamino}acetate
| Molecular Formula | C14H19NO3 |
|---|---|
| Molecular Weight | 249.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.13649 |
| Heavy Atoms | 18 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 64480-71-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OC |
| InChIKey | LPHCHTHYLJWWIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[(4-tert-butylbenzoyl)amino]acetate (CAS 64480-71-3), with molecular formula C14H19NO3 and molecular weight 249.14 g/mol. IUPAC: methyl 2-[(4-tert-butylbenzoyl)amino]acetate.
Chemical Property Profile of Methyl 2-[(4-tert-butylbenzoyl)amino]acetate
Property Insights of Methyl 2-[(4-tert-butylbenzoyl)amino]acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(4-tert-butylbenzoyl)amino]acetate. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-[(4-tert-butylbenzoyl)amino]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(4-tert-butylbenzoyl)amino]acetate 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 Methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The CAS number of Methyl 2-[(4-tert-butylbenzoyl)amino]acetate is 64480-71-3.
What is the molecular formula of Methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The molecular formula of Methyl 2-[(4-tert-butylbenzoyl)amino]acetate is C14H19NO3.
What is the molecular weight of Methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
The molecular weight of Methyl 2-[(4-tert-butylbenzoyl)amino]acetate is 249.14 g/mol.
Where can I buy Methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
You can request a quote for Methyl 2-[(4-tert-butylbenzoyl)amino]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-tert-butylbenzoyl)amino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-tert-butylbenzoyl)amino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.