Methyl 2-(propan-2-ylideneamino)oxybutanoate
TL;DR: Methyl 2-(propan-2-ylideneamino)oxybutanoate (CAS 50540-30-2) is a chemical compound with molecular formula C8H15NO3 and molecular weight 173.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(propan-2-ylideneamino)oxybutanoate
Also Known As: methyl 2-(propan-2-ylideneamino)oxybutanoate, methyl 2-[(propan-2-ylideneamino)oxy]butanoate, 2-isopropylideneaminooxy-butyric acid methyl ester, methyl 2-((propan-2-ylideneamino)oxy)butanoate, Methyl 2-{[(propan-2-ylidene)amino]oxy}butanoate
| Molecular Formula | C8H15NO3 |
|---|---|
| Molecular Weight | 173.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 173.1052 |
| Heavy Atoms | 12 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 50540-30-2 |
|---|---|
| SMILES | CCC(C(=O)OC)ON=C(C)C |
| InChIKey | JNAXUWCFZNGKBB-UHFFFAOYSA-N |
Product Overview
Methyl 2-(propan-2-ylideneamino)oxybutanoate (CAS 50540-30-2), with molecular formula C8H15NO3 and molecular weight 173.11 g/mol. IUPAC: methyl 2-(propan-2-ylideneamino)oxybutanoate.
Chemical Property Profile of Methyl 2-(propan-2-ylideneamino)oxybutanoate
Property Insights of Methyl 2-(propan-2-ylideneamino)oxybutanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(propan-2-ylideneamino)oxybutanoate. With a topological polar surface area (TPSA) of 47.9 Ų, Methyl 2-(propan-2-ylideneamino)oxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(propan-2-ylideneamino)oxybutanoate 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 Methyl 2-(propan-2-ylideneamino)oxybutanoate?
The CAS number of Methyl 2-(propan-2-ylideneamino)oxybutanoate is 50540-30-2.
What is the molecular formula of Methyl 2-(propan-2-ylideneamino)oxybutanoate?
The molecular formula of Methyl 2-(propan-2-ylideneamino)oxybutanoate is C8H15NO3.
What is the molecular weight of Methyl 2-(propan-2-ylideneamino)oxybutanoate?
The molecular weight of Methyl 2-(propan-2-ylideneamino)oxybutanoate is 173.11 g/mol.
Where can I buy Methyl 2-(propan-2-ylideneamino)oxybutanoate?
You can request a quote for Methyl 2-(propan-2-ylideneamino)oxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(propan-2-ylideneamino)oxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(propan-2-ylideneamino)oxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.