(4-tert-Butylbenzamido)acetate
TL;DR: (4-tert-Butylbenzamido)acetate (CAS 87015-91-6) is a chemical compound with molecular formula C13H16NO3- and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylbenzoyl)amino]acetate
Also Known As: (4-tert-Butylbenzamido)acetate, 2-[(4-tert-butylbenzoyl)amino]acetate
| Molecular Formula | C13H16NO3- |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | 0.4638 |
| Topological Polar Surface Area | 69.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.11302 |
| Heavy Atoms | 17 |
| Complexity | 415.28586 |
Chemical Identifiers
| CAS Number | 87015-91-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)[O-] |
Product Overview
(4-tert-Butylbenzamido)acetate (CAS 87015-91-6), with molecular formula C13H16NO3- and molecular weight 234.11 g/mol. IUPAC: 2-[(4-tert-butylbenzoyl)amino]acetate.
Chemical Property Profile of (4-tert-Butylbenzamido)acetate
Property Insights of (4-tert-Butylbenzamido)acetate
The XLogP value of 0.4638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-tert-Butylbenzamido)acetate. The TPSA of 69.23 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-tert-Butylbenzamido)acetate. Following Lipinski's Rule of Five, (4-tert-Butylbenzamido)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 (4-tert-Butylbenzamido)acetate?
The CAS number of (4-tert-Butylbenzamido)acetate is 87015-91-6.
What is the molecular formula of (4-tert-Butylbenzamido)acetate?
The molecular formula of (4-tert-Butylbenzamido)acetate is C13H16NO3-.
What is the molecular weight of (4-tert-Butylbenzamido)acetate?
The molecular weight of (4-tert-Butylbenzamido)acetate is 234.11 g/mol.
Where can I buy (4-tert-Butylbenzamido)acetate?
You can request a quote for (4-tert-Butylbenzamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-tert-Butylbenzamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-tert-Butylbenzamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.