(5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate
TL;DR: (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate (CAS 360778-30-9) is a chemical compound with molecular formula C11H12O4S and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-1,3-oxathiolan-2-yl)methyl benzoate
Also Known As: (5-hydroxy-1,3-oxathiolan-2-yl)methyl Benzoate, 1,3-Oxathiolane-2-methanol, 5-hydroxy-, 2-benzoate
| Molecular Formula | C11H12O4S |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 1.2513 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.04562 |
| Heavy Atoms | 16 |
| Complexity | 354.26202 |
Chemical Identifiers
| CAS Number | 360778-30-9 |
|---|---|
| SMILES | C1C(OC(S1)COC(=O)C2=CC=CC=C2)O |
Product Overview
(5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate (CAS 360778-30-9), with molecular formula C11H12O4S and molecular weight 240.05 g/mol. IUPAC: (5-hydroxy-1,3-oxathiolan-2-yl)methyl benzoate.
Chemical Property Profile of (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate
Property Insights of (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate
The XLogP value of 1.2513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate. With a topological polar surface area (TPSA) of 55.76 Ų, (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate has 1 hydrogen bond donor(s) and 5 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 (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate?
The CAS number of (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate is 360778-30-9.
What is the molecular formula of (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate?
The molecular formula of (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate is C11H12O4S.
What is the molecular weight of (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate?
The molecular weight of (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate is 240.05 g/mol.
Where can I buy (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate?
You can request a quote for (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (5-Hydroxy-1,3-oxathiolan-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.