4-Morpholin-4-ylbut-2-ynyl acetate
TL;DR: 4-Morpholin-4-ylbut-2-ynyl acetate (CAS 35956-47-9) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-morpholin-4-ylbut-2-ynyl acetate
Also Known As: 4-morpholin-4-ylbut-2-ynyl acetate, 4-(Morpholin-4-yl)but-2-yn-1-yl acetate, 2-Butyn-1-ol, 4-(4-morpholinyl)-, 1-acetate
| Molecular Formula | C10H15NO3 |
|---|---|
| Molecular Weight | 197.11 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.1052 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 35956-47-9 |
|---|---|
| SMILES | CC(=O)OCC#CCN1CCOCC1 |
| InChIKey | PIMSOWLRDPKDCJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Morpholin-4-ylbut-2-ynyl acetate (CAS 35956-47-9), with molecular formula C10H15NO3 and molecular weight 197.11 g/mol. IUPAC: 4-morpholin-4-ylbut-2-ynyl acetate.
Chemical Property Profile of 4-Morpholin-4-ylbut-2-ynyl acetate
Property Insights of 4-Morpholin-4-ylbut-2-ynyl acetate
The XLogP value of -0.2 indicates that 4-Morpholin-4-ylbut-2-ynyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.8 Ų, 4-Morpholin-4-ylbut-2-ynyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Morpholin-4-ylbut-2-ynyl acetate 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 4-Morpholin-4-ylbut-2-ynyl acetate?
The CAS number of 4-Morpholin-4-ylbut-2-ynyl acetate is 35956-47-9.
What is the molecular formula of 4-Morpholin-4-ylbut-2-ynyl acetate?
The molecular formula of 4-Morpholin-4-ylbut-2-ynyl acetate is C10H15NO3.
What is the molecular weight of 4-Morpholin-4-ylbut-2-ynyl acetate?
The molecular weight of 4-Morpholin-4-ylbut-2-ynyl acetate is 197.11 g/mol.
Where can I buy 4-Morpholin-4-ylbut-2-ynyl acetate?
You can request a quote for 4-Morpholin-4-ylbut-2-ynyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Morpholin-4-ylbut-2-ynyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Morpholin-4-ylbut-2-ynyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.