Einecs 261-657-9
TL;DR: Einecs 261-657-9 (CAS 59209-84-6) is a chemical compound with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxybenzoic acid;2-amino-2-methylpropanamide
Also Known As: EINECS 261-657-9, 2-Acetoxybenzoic acid, compound with 2-amino-2-methylpropionamide (1:1), 2-acetyloxybenzoic acid,2-amino-2-methylpropanamide, 2-acetyloxybenzoic acid; 2-amino-2-methylpropanamide, 2-(Acetyloxy)benzoic acid--2-methylalaninamide (1/1)
| Molecular Formula | C13H18N2O5 |
|---|---|
| Molecular Weight | 282.12 g/mol |
| LogP | 0.5191 |
| Topological Polar Surface Area | 132.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.12158 |
| Heavy Atoms | 20 |
| Complexity | 505.72812 |
Chemical Identifiers
| CAS Number | 59209-84-6 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)O.CC(C)(C(=O)N)N |
Product Overview
Einecs 261-657-9 (CAS 59209-84-6), with molecular formula C13H18N2O5 and molecular weight 282.12 g/mol. IUPAC: 2-acetyloxybenzoic acid;2-amino-2-methylpropanamide.
Chemical Property Profile of Einecs 261-657-9
Property Insights of Einecs 261-657-9
The XLogP value of 0.5191 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 261-657-9. The TPSA of 132.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 261-657-9. Following Lipinski's Rule of Five, Einecs 261-657-9 has 3 hydrogen bond donor(s) and 5 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 Einecs 261-657-9?
The CAS number of Einecs 261-657-9 is 59209-84-6.
What is the molecular formula of Einecs 261-657-9?
The molecular formula of Einecs 261-657-9 is C13H18N2O5.
What is the molecular weight of Einecs 261-657-9?
The molecular weight of Einecs 261-657-9 is 282.12 g/mol.
Where can I buy Einecs 261-657-9?
You can request a quote for Einecs 261-657-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 261-657-9?
Yes, KEHONG BIO provides custom synthesis services for Einecs 261-657-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.