5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate
TL;DR: 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate (CAS 1469982-23-7) is a chemical compound with molecular formula C13H14O5S and molecular weight 282.05618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-acetyloxy-1,3-oxathiolan-2-yl)methyl benzoate
Also Known As: starbld0003936, 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate, (5-Acetoxy-1,3-oxathiolan-2-yl)methyl benzoate, J2.066.572F, (5-acetyloxy-1,3-oxathiolan-2-yl)methyl Benzoate
Technical Specifications
| Molecular Formula | C13H14O5S |
| Molecular Weight | 282.05618 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.05618 Da |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
| SMILES | CC(=O)OC1CSC(O1)COC(=O)C2=CC=CC=C2 |
| InChIKey | OIWDXBQHMZOSFT-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate
Property Insights of 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate. Following Lipinski's Rule of Five, 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate?
The CAS number of 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate is 1469982-23-7.
What is the molecular formula of 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate?
The molecular formula of 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate is C13H14O5S.
What is the molecular weight of 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate?
The molecular weight of 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate is 282.05618 g/mol.
Where can I buy 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate?
You can request a quote for 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate?
Yes, CoreyChem provides custom synthesis services for 5-(Acetyloxy)-1,3-oxathiolane-2-methanol Benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.