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Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate
TL;DR: Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate (CAS 1020719-49-6) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate
Also Known As: methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate, f4-(4-Hydroxy-1-butynl)-alpha,alpha-dimethylbenzeneacetic Acid, Methyl Ester, 4-(4-HYDROXY-1-BUTYNL)-A,A-DIMETHYLBENZENEACETIC ACID, METHYL ESTER, 4-(4-Hydroxy-1-butynl)-, A,
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 1.8711 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 460.75235 |
Chemical Identifiers
| CAS Number | 1020719-49-6 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)C#CCCO)C(=O)OC |
Product Overview
Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate (CAS 1020719-49-6), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate.
Chemical Property Profile of Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate
Property Insights of Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate
The XLogP value of 1.8711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate has 1 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 Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate?
The CAS number of Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate is 1020719-49-6.
What is the molecular formula of Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate?
The molecular formula of Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate is C15H18O3.
What is the molecular weight of Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate?
The molecular weight of Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate is 246.13 g/mol.
Where can I buy Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate?
You can request a quote for Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.