Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-
TL;DR: Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- (CAS 126794-89-6) is a chemical compound with molecular formula C8H14ClNO2 and molecular weight 191.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(Z)-(1-chloro-2-methylpropylidene)amino] butanoate
Also Known As: 2-Methyl-N-(1-oxobutoxy)propanimidoyl chloride, Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-, N-(5-bromo-4-ethyl-1,3-thiazol-2-yl)acetamide, [(Z)-(1-chloro-2-methylpropylidene)amino] butanoate, BRN 4244742
Technical Specifications
| Molecular Formula | C8H14ClNO2 |
| Molecular Weight | 191.0713 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.0713 Da |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
| SMILES | CCCC(=O)O/N=C(/C(C)C)\Cl |
| InChIKey | PYIDXQVIDJUSMP-NTMALXAHSA-N |
Chemical Property Profile of Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-
Property Insights of Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-
The XLogP value of 3.0 indicates that Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-?
The CAS number of Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- is 126794-89-6.
What is the molecular formula of Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-?
The molecular formula of Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- is C8H14ClNO2.
What is the molecular weight of Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-?
The molecular weight of Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- is 191.0713 g/mol.
Where can I buy Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-?
You can request a quote for Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)-?
Yes, CoreyChem provides custom synthesis services for Propanimidoyl chloride, 2-methyl-N-(1-oxobutoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.