Methyl 2-hydroxy-2-phenylhex-3-enoate
TL;DR: Methyl 2-hydroxy-2-phenylhex-3-enoate (CAS 92957-10-3) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-2-phenylhex-3-enoate
Also Known As: methyl 2-hydroxy-2-phenylhex-3-enoate, methyl (E)-2-hydroxy-2-phenylhex-3-enoate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 92957-10-3 |
|---|---|
| SMILES | CCC=CC(C1=CC=CC=C1)(C(=O)OC)O |
| InChIKey | RHPHHJSUEGEANH-UHFFFAOYSA-N |
Product Overview
Methyl 2-hydroxy-2-phenylhex-3-enoate (CAS 92957-10-3), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: methyl 2-hydroxy-2-phenylhex-3-enoate.
Chemical Property Profile of Methyl 2-hydroxy-2-phenylhex-3-enoate
Property Insights of Methyl 2-hydroxy-2-phenylhex-3-enoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-hydroxy-2-phenylhex-3-enoate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 2-hydroxy-2-phenylhex-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-hydroxy-2-phenylhex-3-enoate 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-phenylhex-3-enoate?
The CAS number of Methyl 2-hydroxy-2-phenylhex-3-enoate is 92957-10-3.
What is the molecular formula of Methyl 2-hydroxy-2-phenylhex-3-enoate?
The molecular formula of Methyl 2-hydroxy-2-phenylhex-3-enoate is C13H16O3.
What is the molecular weight of Methyl 2-hydroxy-2-phenylhex-3-enoate?
The molecular weight of Methyl 2-hydroxy-2-phenylhex-3-enoate is 220.11 g/mol.
Where can I buy Methyl 2-hydroxy-2-phenylhex-3-enoate?
You can request a quote for Methyl 2-hydroxy-2-phenylhex-3-enoate 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-phenylhex-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-hydroxy-2-phenylhex-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.