1,2-Propanediol, 3-(p-butyrylphenoxy)-
TL;DR: 1,2-Propanediol, 3-(p-butyrylphenoxy)- (CAS 63834-66-2) is a chemical compound with molecular formula C13H18O4 and molecular weight 238.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2,3-dihydroxypropoxy)phenyl]butan-1-one
Also Known As: 3- -1,2-propanediol, 3-(p-Butyrylphenoxy)-1,2-propanidiol, 1-[4-(2,3-dihydroxypropoxy)phenyl]butan-1-one, 1,2-Propanediol, 3-(p-butyrylphenoxy)-, KST-1B6934
| Molecular Formula | C13H18O4 |
|---|---|
| Molecular Weight | 238.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.12051 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 63834-66-2 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)OCC(CO)O |
| InChIKey | OJSIHOCBTHOQJA-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 3-(p-butyrylphenoxy)- (CAS 63834-66-2), with molecular formula C13H18O4 and molecular weight 238.12 g/mol. IUPAC: 1-[4-(2,3-dihydroxypropoxy)phenyl]butan-1-one.
Chemical Property Profile of 1,2-Propanediol, 3-(p-butyrylphenoxy)-
Property Insights of 1,2-Propanediol, 3-(p-butyrylphenoxy)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(p-butyrylphenoxy)-. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Propanediol, 3-(p-butyrylphenoxy)-. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(p-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
Frequently Asked Questions
What is the CAS number of 1,2-Propanediol, 3-(p-butyrylphenoxy)-?
The CAS number of 1,2-Propanediol, 3-(p-butyrylphenoxy)- is 63834-66-2.
What is the molecular formula of 1,2-Propanediol, 3-(p-butyrylphenoxy)-?
The molecular formula of 1,2-Propanediol, 3-(p-butyrylphenoxy)- is C13H18O4.
What is the molecular weight of 1,2-Propanediol, 3-(p-butyrylphenoxy)-?
The molecular weight of 1,2-Propanediol, 3-(p-butyrylphenoxy)- is 238.12 g/mol.
Where can I buy 1,2-Propanediol, 3-(p-butyrylphenoxy)-?
You can request a quote for 1,2-Propanediol, 3-(p-butyrylphenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol, 3-(p-butyrylphenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(p-butyrylphenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.