α-乙炔基-对甲氧基苄醇乙酸酯
TL;DR: α-乙炔基-对甲氧基苄醇乙酸酯 (CAS 99520-55-5) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-乙炔基-对甲氧基苄醇乙酸酯
1-(4-methoxyphenyl)prop-2-ynyl acetate
Also Known As: 1'-Acetoxy-2',3'-dehydroestragole, alpha-Ethynyl-p-methoxybenzyl alcohol acetate, 1-(4-methoxyphenyl)prop-2-ynyl acetate, 1-(4-methoxyphenyl)prop-2-yn-1-yl acetate, Benzyl alcohol, alpha-ethynyl-p-methoxy-, acetate
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 99520-55-5 |
|---|---|
| SMILES | CC(=O)OC(C#C)C1=CC=C(C=C1)OC |
| InChIKey | OZDNWQAJSDYSCG-UHFFFAOYSA-N |
Product Overview
α-乙炔基-对甲氧基苄醇乙酸酯 (CAS 99520-55-5), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: 1-(4-methoxyphenyl)prop-2-ynyl acetate.
Chemical Property Profile of α-乙炔基-对甲氧基苄醇乙酸酯
Property Insights of α-乙炔基-对甲氧基苄醇乙酸酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-乙炔基-对甲氧基苄醇乙酸酯. With a topological polar surface area (TPSA) of 35.5 Ų, α-乙炔基-对甲氧基苄醇乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α-乙炔基-对甲氧基苄醇乙酸酯 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 α-乙炔基-对甲氧基苄醇乙酸酯?
The CAS number of α-乙炔基-对甲氧基苄醇乙酸酯 is 99520-55-5.
What is the molecular formula of α-乙炔基-对甲氧基苄醇乙酸酯?
The molecular formula of α-乙炔基-对甲氧基苄醇乙酸酯 is C12H12O3.
What is the molecular weight of α-乙炔基-对甲氧基苄醇乙酸酯?
The molecular weight of α-乙炔基-对甲氧基苄醇乙酸酯 is 204.08 g/mol.
Where can I buy α-乙炔基-对甲氧基苄醇乙酸酯?
You can request a quote for α-乙炔基-对甲氧基苄醇乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-乙炔基-对甲氧基苄醇乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for α-乙炔基-对甲氧基苄醇乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.