C13H20N2O4
TL;DR: C13H20N2O4 (CAS 301353-56-0) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1S,5R)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoacetate
Also Known As: BAS 00337759, ethyl 2-((1R,5S)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl)-2-oxoacetate
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | -0.4234 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 414.35916 |
Chemical Identifiers
| CAS Number | 301353-56-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)N1C[C@]2(CNC[C@@](C1)(C2=O)C)C |
Product Overview
C13H20N2O4 (CAS 301353-56-0), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: ethyl 2-[(1S,5R)-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonan-3-yl]-2-oxoacetate.
Chemical Property Profile of C13H20N2O4
Property Insights of C13H20N2O4
The XLogP value of -0.4234 indicates that C13H20N2O4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for C13H20N2O4. Following Lipinski's Rule of Five, C13H20N2O4 has 1 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 C13H20N2O4?
The CAS number of C13H20N2O4 is 301353-56-0.
What is the molecular formula of C13H20N2O4?
The molecular formula of C13H20N2O4 is C13H20N2O4.
What is the molecular weight of C13H20N2O4?
The molecular weight of C13H20N2O4 is 268.14 g/mol.
Where can I buy C13H20N2O4?
You can request a quote for C13H20N2O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C13H20N2O4?
Yes, KEHONG BIO provides custom synthesis services for C13H20N2O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.