Butan-2-yl hydroxy(phenyl)acetate
TL;DR: Butan-2-yl hydroxy(phenyl)acetate (CAS 6951-92-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-hydroxy-2-phenylacetate
Also Known As: butan-2-yl hydroxy(phenyl)acetate, mandelic acid-sec-butyl ester, butan-2-yl 2-hydroxy-2-phenylacetate
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 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 | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 6951-92-4 |
|---|---|
| SMILES | CCC(C)OC(=O)C(C1=CC=CC=C1)O |
| InChIKey | HFSGWDZFNVDYJK-UHFFFAOYSA-N |
Product Overview
Butan-2-yl hydroxy(phenyl)acetate (CAS 6951-92-4), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: butan-2-yl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Butan-2-yl hydroxy(phenyl)acetate
Property Insights of Butan-2-yl hydroxy(phenyl)acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butan-2-yl hydroxy(phenyl)acetate. With a topological polar surface area (TPSA) of 46.5 Ų, Butan-2-yl hydroxy(phenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butan-2-yl hydroxy(phenyl)acetate 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 Butan-2-yl hydroxy(phenyl)acetate?
The CAS number of Butan-2-yl hydroxy(phenyl)acetate is 6951-92-4.
What is the molecular formula of Butan-2-yl hydroxy(phenyl)acetate?
The molecular formula of Butan-2-yl hydroxy(phenyl)acetate is C12H16O3.
What is the molecular weight of Butan-2-yl hydroxy(phenyl)acetate?
The molecular weight of Butan-2-yl hydroxy(phenyl)acetate is 208.11 g/mol.
Where can I buy Butan-2-yl hydroxy(phenyl)acetate?
You can request a quote for Butan-2-yl hydroxy(phenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl hydroxy(phenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl hydroxy(phenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.