4-(Azepan-1-yl)but-2-ynyl acetate
TL;DR: 4-(Azepan-1-yl)but-2-ynyl acetate (CAS 88860-80-4) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-1-yl)but-2-ynyl acetate
Also Known As: 4-(azepan-1-yl)but-2-ynyl Acetate, 1-perhydroazepino-4-acetoxy-2-butyne, 4-(azepan-1-yl)but-2-yn-1-yl acetate
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 88860-80-4 |
|---|---|
| SMILES | CC(=O)OCC#CCN1CCCCCC1 |
| InChIKey | KLLPZMGEAIFEIX-UHFFFAOYSA-N |
Product Overview
4-(Azepan-1-yl)but-2-ynyl acetate (CAS 88860-80-4), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: 4-(azepan-1-yl)but-2-ynyl acetate.
Chemical Property Profile of 4-(Azepan-1-yl)but-2-ynyl acetate
Property Insights of 4-(Azepan-1-yl)but-2-ynyl acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Azepan-1-yl)but-2-ynyl acetate. With a topological polar surface area (TPSA) of 29.5 Ų, 4-(Azepan-1-yl)but-2-ynyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Azepan-1-yl)but-2-ynyl acetate 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
Frequently Asked Questions
What is the CAS number of 4-(Azepan-1-yl)but-2-ynyl acetate?
The CAS number of 4-(Azepan-1-yl)but-2-ynyl acetate is 88860-80-4.
What is the molecular formula of 4-(Azepan-1-yl)but-2-ynyl acetate?
The molecular formula of 4-(Azepan-1-yl)but-2-ynyl acetate is C12H19NO2.
What is the molecular weight of 4-(Azepan-1-yl)but-2-ynyl acetate?
The molecular weight of 4-(Azepan-1-yl)but-2-ynyl acetate is 209.14 g/mol.
Where can I buy 4-(Azepan-1-yl)but-2-ynyl acetate?
You can request a quote for 4-(Azepan-1-yl)but-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-(Azepan-1-yl)but-2-ynyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Azepan-1-yl)but-2-ynyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.