Einecs 266-104-5
TL;DR: Einecs 266-104-5 (CAS 66069-34-9) is a chemical compound with molecular formula C12H20N2O5 and molecular weight 272.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-methylpropan-2-amine
Also Known As: EINECS 266-104-5, compound with tert-butylamine, clavulanic acid tert-butylamine, Clavulanate Tert-butylamine TBA, EC 266-104-5
| Molecular Formula | C12H20N2O5 |
|---|---|
| Molecular Weight | 272.14 g/mol |
| LogP | -0.352 |
| Topological Polar Surface Area | 113.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.1372 |
| Heavy Atoms | 19 |
| Complexity | 393.41415 |
Chemical Identifiers
| CAS Number | 66069-34-9 |
|---|---|
| SMILES | CC(C)(C)N.C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O |
Product Overview
Einecs 266-104-5 (CAS 66069-34-9), with molecular formula C12H20N2O5 and molecular weight 272.14 g/mol. IUPAC: (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;2-methylpropan-2-amine.
Chemical Property Profile of Einecs 266-104-5
Property Insights of Einecs 266-104-5
The XLogP value of -0.352 indicates that Einecs 266-104-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.09 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 266-104-5. Following Lipinski's Rule of Five, Einecs 266-104-5 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 266-104-5?
The CAS number of Einecs 266-104-5 is 66069-34-9.
What is the molecular formula of Einecs 266-104-5?
The molecular formula of Einecs 266-104-5 is C12H20N2O5.
What is the molecular weight of Einecs 266-104-5?
The molecular weight of Einecs 266-104-5 is 272.14 g/mol.
Where can I buy Einecs 266-104-5?
You can request a quote for Einecs 266-104-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 266-104-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 266-104-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.