Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate
TL;DR: Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate (CAS 121114-45-2) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-hydroxyprop-1-ynyl)benzoate
Also Known As: methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate, methyl 3-(3-hydroxyprop-1-ynyl)benzoate, 3-(3-methoxybenzyl)-2-oxotetrahydrofuran, 3-(3-Hydroxy-prop-1-ynyl)-benzoic acid methyl ester, methyl3-(3-hydroxyprop-1-yn-1-yl)benzoate
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 0.817 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 385.0094 |
Chemical Identifiers
| CAS Number | 121114-45-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)C#CCO |
Product Overview
Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate (CAS 121114-45-2), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: methyl 3-(3-hydroxyprop-1-ynyl)benzoate.
Chemical Property Profile of Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate
Property Insights of Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate
The XLogP value of 0.817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate 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 3-(3-hydroxyprop-1-yn-1-yl)benzoate?
The CAS number of Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate is 121114-45-2.
What is the molecular formula of Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate?
The molecular formula of Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate is C11H10O3.
What is the molecular weight of Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate?
The molecular weight of Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate is 190.06 g/mol.
Where can I buy Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate?
You can request a quote for Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-hydroxyprop-1-yn-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.