3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate
TL;DR: 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate (CAS 13051-29-1) is a chemical compound with molecular formula C7H14O5 and molecular weight 178.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] acetate
Also Known As: pentaerythritol monoacetate, 3-hydroxy-2,2-bis(hydroxymethyl)propyl acetate, [3-hydroxy-2,2-bis(hydroxymethyl)propyl] acetate, 2-(Hydroxymethyl)-2-(acetoxymethyl)propane-1,3-diol, Acetic acid [3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O5 |
| Molecular Weight | 178.08412 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.08412 Da |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
| SMILES | CC(=O)OCC(CO)(CO)CO |
| InChIKey | OORDEDRRTSWSRC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate
Property Insights of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate
The XLogP value of -1.8 indicates that 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate. Following Lipinski's Rule of Five, 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate?
The CAS number of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate is 13051-29-1.
What is the molecular formula of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate?
The molecular formula of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate is C7H14O5.
What is the molecular weight of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate?
The molecular weight of 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate is 178.08412 g/mol.
Where can I buy 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate?
You can request a quote for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-2,2-bis(hydroxymethyl)propyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.