Methyl 2-hydroxy-2-phenyloct-3-ynoate
TL;DR: Methyl 2-hydroxy-2-phenyloct-3-ynoate (CAS 92956-89-3) 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-hydroxy-2-phenyloct-3-ynoate
Also Known As: methyl 2-hydroxy-2-phenyloct-3-ynoate, methyl 2-hydroxy-2-phenyl-oct-3-ynoate, RefChem:354293
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 92956-89-3 |
|---|---|
| SMILES | CCCCC#CC(C1=CC=CC=C1)(C(=O)OC)O |
| InChIKey | WWNZWEJUQNZXQR-UHFFFAOYSA-N |
Product Overview
Methyl 2-hydroxy-2-phenyloct-3-ynoate (CAS 92956-89-3), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: methyl 2-hydroxy-2-phenyloct-3-ynoate.
Chemical Property Profile of Methyl 2-hydroxy-2-phenyloct-3-ynoate
Property Insights of Methyl 2-hydroxy-2-phenyloct-3-ynoate
The XLogP value of 3.3 indicates that Methyl 2-hydroxy-2-phenyloct-3-ynoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxy-2-phenyloct-3-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-2-phenyloct-3-ynoate 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-hydroxy-2-phenyloct-3-ynoate?
The CAS number of Methyl 2-hydroxy-2-phenyloct-3-ynoate is 92956-89-3.
What is the molecular formula of Methyl 2-hydroxy-2-phenyloct-3-ynoate?
The molecular formula of Methyl 2-hydroxy-2-phenyloct-3-ynoate is C15H18O3.
What is the molecular weight of Methyl 2-hydroxy-2-phenyloct-3-ynoate?
The molecular weight of Methyl 2-hydroxy-2-phenyloct-3-ynoate is 246.13 g/mol.
Where can I buy Methyl 2-hydroxy-2-phenyloct-3-ynoate?
You can request a quote for Methyl 2-hydroxy-2-phenyloct-3-ynoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-hydroxy-2-phenyloct-3-ynoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-2-phenyloct-3-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.