3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide
TL;DR: 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide (CAS 95969-91-8) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-N-prop-2-enylprop-2-ynamide
Also Known As: N-allyl-3-phenylpropiolamide, N-allyl-3-phenylpropynylamide, TimTec1_004680, 3-Phenyl-propynoic acid allylamide, 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 95969-91-8 |
|---|---|
| SMILES | C=CCNC(=O)C#CC1=CC=CC=C1 |
| InChIKey | AVRJMTXDTRBUJY-UHFFFAOYSA-N |
Product Overview
3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide (CAS 95969-91-8), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 3-phenyl-N-prop-2-enylprop-2-ynamide.
Chemical Property Profile of 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide
Property Insights of 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide. With a topological polar surface area (TPSA) of 29.1 Ų, 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide 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 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide?
The CAS number of 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide is 95969-91-8.
What is the molecular formula of 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide?
The molecular formula of 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide is C12H11NO.
What is the molecular weight of 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide?
The molecular weight of 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide is 185.08 g/mol.
Where can I buy 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide?
You can request a quote for 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-N-(prop-2-en-1-yl)prop-2-ynamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.