2,2-二丙炔基乙酰胺
TL;DR: 2,2-二丙炔基乙酰胺 (CAS 90389-18-7) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二丙炔基乙酰胺
2-prop-2-ynylpent-4-ynamide
Also Known As: 2,2-Dipropargylacetamide, 2-prop-2-ynylpent-4-ynamide, 4-Pentynamide, 2-(2-propynyl)-, 2-(prop-2-yn-1-yl)pent-4-ynamidato, 2-(PROP-2-YN-1-YL)PENT-4-YNAMIDE
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 90389-18-7 |
|---|---|
| SMILES | C#CCC(CC#C)C(=O)N |
| InChIKey | DQSDTBAABLOVHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二丙炔基乙酰胺 (CAS 90389-18-7), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 2-prop-2-ynylpent-4-ynamide.
Chemical Property Profile of 2,2-二丙炔基乙酰胺
Property Insights of 2,2-二丙炔基乙酰胺
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二丙炔基乙酰胺. With a topological polar surface area (TPSA) of 43.1 Ų, 2,2-二丙炔基乙酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二丙炔基乙酰胺 has 1 hydrogen bond donor(s) and 1 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 2,2-二丙炔基乙酰胺?
The CAS number of 2,2-二丙炔基乙酰胺 is 90389-18-7.
What is the molecular formula of 2,2-二丙炔基乙酰胺?
The molecular formula of 2,2-二丙炔基乙酰胺 is C8H9NO.
What is the molecular weight of 2,2-二丙炔基乙酰胺?
The molecular weight of 2,2-二丙炔基乙酰胺 is 135.07 g/mol.
Where can I buy 2,2-二丙炔基乙酰胺?
You can request a quote for 2,2-二丙炔基乙酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二丙炔基乙酰胺?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二丙炔基乙酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.