3-Bromo-1-phenyl-2-propyn-1-yl acetate
TL;DR: 3-Bromo-1-phenyl-2-propyn-1-yl acetate (CAS 129758-83-4) is a chemical compound with molecular formula C11H9BrO2 and molecular weight 251.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-1-phenylprop-2-ynyl) acetate
Also Known As: 3-bromo-1-phenylprop-2-ynyl acetate, (3-bromo-1-phenylprop-2-ynyl) acetate, 3-bromo-1-phenyl-2-propyn-1-yl acetate, AB00073732-01
| Molecular Formula | C11H9BrO2 |
|---|---|
| Molecular Weight | 251.98 g/mol |
| LogP | 2.6466 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.97859 |
| Heavy Atoms | 14 |
| Complexity | 361.86908 |
Chemical Identifiers
| CAS Number | 129758-83-4 |
|---|---|
| SMILES | CC(=O)OC(C#CBr)C1=CC=CC=C1 |
Product Overview
3-Bromo-1-phenyl-2-propyn-1-yl acetate (CAS 129758-83-4), with molecular formula C11H9BrO2 and molecular weight 251.98 g/mol. IUPAC: (3-bromo-1-phenylprop-2-ynyl) acetate.
Chemical Property Profile of 3-Bromo-1-phenyl-2-propyn-1-yl acetate
Property Insights of 3-Bromo-1-phenyl-2-propyn-1-yl acetate
The XLogP value of 2.6466 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1-phenyl-2-propyn-1-yl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Bromo-1-phenyl-2-propyn-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1-phenyl-2-propyn-1-yl acetate has 0 hydrogen bond donor(s) and 2 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-Bromo-1-phenyl-2-propyn-1-yl acetate?
The CAS number of 3-Bromo-1-phenyl-2-propyn-1-yl acetate is 129758-83-4.
What is the molecular formula of 3-Bromo-1-phenyl-2-propyn-1-yl acetate?
The molecular formula of 3-Bromo-1-phenyl-2-propyn-1-yl acetate is C11H9BrO2.
What is the molecular weight of 3-Bromo-1-phenyl-2-propyn-1-yl acetate?
The molecular weight of 3-Bromo-1-phenyl-2-propyn-1-yl acetate is 251.98 g/mol.
Where can I buy 3-Bromo-1-phenyl-2-propyn-1-yl acetate?
You can request a quote for 3-Bromo-1-phenyl-2-propyn-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-phenyl-2-propyn-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-phenyl-2-propyn-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.