Butyn-1-ol, 4-(dimethylamino)-, acetate
TL;DR: Butyn-1-ol, 4-(dimethylamino)-, acetate (CAS 3921-94-6) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)but-2-ynyl acetate
Also Known As: 4-Dimethylaminobut-2-ynyl acetate, 4-(Dimethylamino)butyn-1-ol acetate, 4-(dimethylamino)but-2-yn-1-yl acetate, Butyn-1-ol, 4-(dimethylamino)-, acetate, 4-(dimethylamino)but-2-ynyl acetate
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 3921-94-6 |
|---|---|
| SMILES | CC(=O)OCC#CCN(C)C |
| InChIKey | FLTGRCAASOHPRA-UHFFFAOYSA-N |
Product Overview
Butyn-1-ol, 4-(dimethylamino)-, acetate (CAS 3921-94-6), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: 4-(dimethylamino)but-2-ynyl acetate.
Chemical Property Profile of Butyn-1-ol, 4-(dimethylamino)-, acetate
Property Insights of Butyn-1-ol, 4-(dimethylamino)-, acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyn-1-ol, 4-(dimethylamino)-, acetate. With a topological polar surface area (TPSA) of 29.5 Ų, Butyn-1-ol, 4-(dimethylamino)-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyn-1-ol, 4-(dimethylamino)-, 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 Butyn-1-ol, 4-(dimethylamino)-, acetate?
The CAS number of Butyn-1-ol, 4-(dimethylamino)-, acetate is 3921-94-6.
What is the molecular formula of Butyn-1-ol, 4-(dimethylamino)-, acetate?
The molecular formula of Butyn-1-ol, 4-(dimethylamino)-, acetate is C8H13NO2.
What is the molecular weight of Butyn-1-ol, 4-(dimethylamino)-, acetate?
The molecular weight of Butyn-1-ol, 4-(dimethylamino)-, acetate is 155.09 g/mol.
Where can I buy Butyn-1-ol, 4-(dimethylamino)-, acetate?
You can request a quote for Butyn-1-ol, 4-(dimethylamino)-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyn-1-ol, 4-(dimethylamino)-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyn-1-ol, 4-(dimethylamino)-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.