(S)-Benzoin acetate
TL;DR: (S)-Benzoin acetate (CAS 84275-46-7) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-2-oxo-1,2-diphenylethyl] acetate
Also Known As: (S)-Benzoin acetate, Benzoin, acetate, (+)-Benzoin acetate, Benzoin acetate, (S)-, Benzoin acetate, (+)-
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 84275-46-7 |
|---|---|
| SMILES | CC(=O)O[C@@H](C1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | QRWAIZJYJNLOPG-INIZCTEOSA-N |
Product Overview
(S)-Benzoin acetate (CAS 84275-46-7), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: [(1S)-2-oxo-1,2-diphenylethyl] acetate.
Chemical Property Profile of (S)-Benzoin acetate
Property Insights of (S)-Benzoin acetate
The XLogP value of 3.2 indicates that (S)-Benzoin acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, (S)-Benzoin acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-Benzoin acetate has 0 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 (S)-Benzoin acetate?
The CAS number of (S)-Benzoin acetate is 84275-46-7.
What is the molecular formula of (S)-Benzoin acetate?
The molecular formula of (S)-Benzoin acetate is C16H14O3.
What is the molecular weight of (S)-Benzoin acetate?
The molecular weight of (S)-Benzoin acetate is 254.09 g/mol.
Where can I buy (S)-Benzoin acetate?
You can request a quote for (S)-Benzoin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Benzoin acetate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Benzoin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.