methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate
TL;DR: methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate (CAS 99566-49-1) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate
Also Known As: Methyl (E,2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate, 3-Butenoic acid, 2-hydroxy-3-methyl-4-(3-phenoxyphenyl)-, methyl ester, (R-(E))-
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 99566-49-1 |
|---|---|
| SMILES | CC(=CC1=CC(=CC=C1)OC2=CC=CC=C2)[C@H](C(=O)OC)O |
| InChIKey | ZBWGASBLHKIPFW-QGZVFWFLSA-N |
Product Overview
methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate (CAS 99566-49-1), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate.
Chemical Property Profile of methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate
Property Insights of methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate
The XLogP value of 4.0 indicates that methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate has 1 hydrogen bond donor(s) and 4 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 (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate?
The CAS number of methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate is 99566-49-1.
What is the molecular formula of methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate?
The molecular formula of methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate is C18H18O4.
What is the molecular weight of methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate?
The molecular weight of methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate is 298.12 g/mol.
Where can I buy methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate?
You can request a quote for methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-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 (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2R)-2-hydroxy-3-methyl-4-(3-phenoxyphenyl)but-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.