Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate
TL;DR: Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate (CAS 41348-48-5) is a chemical compound with molecular formula C13H25NO3 and molecular weight 243.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2,2-dimethyl-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
Also Known As: 2,4-bis-(3-ethyl-4-methyl-isoxazol-5-yl)-pentan-3-one, ETHYL 3-[(2,2-DIMETHYL-3-OXO-PROPYL)-METHYL-AMINO]-2,2-DIMETHYL-PROPANOATE, ethyl 3-[(2,2-dimethyl-3-oxopropyl)-methylamino]-2,2-dimethy, ethyl 3-[(2,2-dimethyl-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate, Ethyl 3-[(2,2-dimethyl-3-oxopropyl)(methyl)amino]-2,2-dimethylpropanoate
| Molecular Formula | C13H25NO3 |
|---|---|
| Molecular Weight | 243.18 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 243.18344 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 41348-48-5 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)CN(C)CC(C)(C)C=O |
| InChIKey | LTVNYUIVTWCMFN-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate (CAS 41348-48-5), with molecular formula C13H25NO3 and molecular weight 243.18 g/mol. IUPAC: ethyl 3-[(2,2-dimethyl-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate.
Chemical Property Profile of Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate
Property Insights of Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate has 0 hydrogen bond donor(s) and 4 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 Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate?
The CAS number of Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate is 41348-48-5.
What is the molecular formula of Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate?
The molecular formula of Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate is C13H25NO3.
What is the molecular weight of Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate?
The molecular weight of Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate is 243.18 g/mol.
Where can I buy Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate?
You can request a quote for Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2,2-dimethyl-3-oxo-propyl)-methyl-amino]-2,2-dimethyl-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.