Methyl cyclobutyl(hydroxy)phenylacetate
TL;DR: Methyl cyclobutyl(hydroxy)phenylacetate (CAS 1209-31-0) 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-cyclobutyl-2-hydroxy-2-phenylacetate
Also Known As: methyl cyclobutyl(hydroxy)phenylacetate, methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate, Methyl cyclobutylphenyl glycollate, alpha-Cyclobutylmandelic acid methyl ester, Methyl cyclobutyl(hydroxy)(phenyl)acetate
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 1209-31-0 |
|---|---|
| SMILES | COC(=O)C(C1CCC1)(C2=CC=CC=C2)O |
| InChIKey | YXPHFWYCSAYUAB-UHFFFAOYSA-N |
Product Overview
Methyl cyclobutyl(hydroxy)phenylacetate (CAS 1209-31-0), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate.
Chemical Property Profile of Methyl cyclobutyl(hydroxy)phenylacetate
Property Insights of Methyl cyclobutyl(hydroxy)phenylacetate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl cyclobutyl(hydroxy)phenylacetate. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl cyclobutyl(hydroxy)phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl cyclobutyl(hydroxy)phenylacetate 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 cyclobutyl(hydroxy)phenylacetate?
The CAS number of Methyl cyclobutyl(hydroxy)phenylacetate is 1209-31-0.
What is the molecular formula of Methyl cyclobutyl(hydroxy)phenylacetate?
The molecular formula of Methyl cyclobutyl(hydroxy)phenylacetate is C13H16O3.
What is the molecular weight of Methyl cyclobutyl(hydroxy)phenylacetate?
The molecular weight of Methyl cyclobutyl(hydroxy)phenylacetate is 220.11 g/mol.
Where can I buy Methyl cyclobutyl(hydroxy)phenylacetate?
You can request a quote for Methyl cyclobutyl(hydroxy)phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl cyclobutyl(hydroxy)phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl cyclobutyl(hydroxy)phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.