(Acetyloxy)methyl 3-phenyl-2-propynoate
TL;DR: (Acetyloxy)methyl 3-phenyl-2-propynoate (CAS 439133-89-8) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
acetyloxymethyl 3-phenylprop-2-ynoate
Also Known As: Acetyloxymethyl 3-phenylprop-2-ynoate, (Acetyloxy)methyl 3-phenyl-2-propynoate, (Acetyloxy)methyl 3-phenylprop-2-ynoate
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 1.1019 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 425.32715 |
Chemical Identifiers
| CAS Number | 439133-89-8 |
|---|---|
| SMILES | CC(=O)OCOC(=O)C#CC1=CC=CC=C1 |
Product Overview
(Acetyloxy)methyl 3-phenyl-2-propynoate (CAS 439133-89-8), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: acetyloxymethyl 3-phenylprop-2-ynoate.
Chemical Property Profile of (Acetyloxy)methyl 3-phenyl-2-propynoate
Property Insights of (Acetyloxy)methyl 3-phenyl-2-propynoate
The XLogP value of 1.1019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Acetyloxy)methyl 3-phenyl-2-propynoate. With a topological polar surface area (TPSA) of 52.6 Ų, (Acetyloxy)methyl 3-phenyl-2-propynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Acetyloxy)methyl 3-phenyl-2-propynoate has 0 hydrogen bond donor(s) and 4 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 (Acetyloxy)methyl 3-phenyl-2-propynoate?
The CAS number of (Acetyloxy)methyl 3-phenyl-2-propynoate is 439133-89-8.
What is the molecular formula of (Acetyloxy)methyl 3-phenyl-2-propynoate?
The molecular formula of (Acetyloxy)methyl 3-phenyl-2-propynoate is C12H10O4.
What is the molecular weight of (Acetyloxy)methyl 3-phenyl-2-propynoate?
The molecular weight of (Acetyloxy)methyl 3-phenyl-2-propynoate is 218.06 g/mol.
Where can I buy (Acetyloxy)methyl 3-phenyl-2-propynoate?
You can request a quote for (Acetyloxy)methyl 3-phenyl-2-propynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Acetyloxy)methyl 3-phenyl-2-propynoate?
Yes, KEHONG BIO provides custom synthesis services for (Acetyloxy)methyl 3-phenyl-2-propynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.