1,2-Propanediol, 3-(o-butyrylphenoxy)-
TL;DR: 1,2-Propanediol, 3-(o-butyrylphenoxy)- (CAS 63834-65-1) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12051 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(2,3-dihydroxypropoxy)phenyl]butan-1-one
Also Known As: 3-(o-Butyrylphenoxy)-1,2-propanediol, 1-[2-(2,3-dihydroxypropoxy)phenyl]butan-1-one, KST-1B6933, 1,2-Propanediol, 3-(o-butyrylphenoxy)-
Technical Specifications
| Molecular Formula | C13H18O4 |
| Molecular Weight | 238.12051 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.12051 Da |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
| SMILES | CCCC(=O)C1=CC=CC=C1OCC(CO)O |
| InChIKey | WPXOLBJHNULPQA-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Propanediol, 3-(o-butyrylphenoxy)-
Property Insights of 1,2-Propanediol, 3-(o-butyrylphenoxy)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(o-butyrylphenoxy)-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-(o-butyrylphenoxy)-. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(o-butyrylphenoxy)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Propanediol, 3-(o-butyrylphenoxy)-?
The CAS number of 1,2-Propanediol, 3-(o-butyrylphenoxy)- is 63834-65-1.
What is the molecular formula of 1,2-Propanediol, 3-(o-butyrylphenoxy)-?
The molecular formula of 1,2-Propanediol, 3-(o-butyrylphenoxy)- is C13H18O4.
What is the molecular weight of 1,2-Propanediol, 3-(o-butyrylphenoxy)-?
The molecular weight of 1,2-Propanediol, 3-(o-butyrylphenoxy)- is 238.12051 g/mol.
Where can I buy 1,2-Propanediol, 3-(o-butyrylphenoxy)-?
You can request a quote for 1,2-Propanediol, 3-(o-butyrylphenoxy)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Propanediol, 3-(o-butyrylphenoxy)-?
Yes, CoreyChem provides custom synthesis services for 1,2-Propanediol, 3-(o-butyrylphenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.