3-(3-Butylphenoxy)propane-1,2-diol
TL;DR: 3-(3-Butylphenoxy)propane-1,2-diol (CAS 63834-63-9) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-butylphenoxy)propane-1,2-diol
Also Known As: 3-(m-Butylphenoxy)-1,2-propanediol, 3- -1,2-propanediol, 3-(3-butylphenoxy)propane-1,2-diol, 1,2-Propanediol, 3-(m-butylphenoxy)-, 1,2-Propanediol, 3-(3-butylphenoxy)-
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 63834-63-9 |
|---|---|
| SMILES | CCCCC1=CC(=CC=C1)OCC(CO)O |
| InChIKey | CZWHCHAGVJACTE-UHFFFAOYSA-N |
Product Overview
3-(3-Butylphenoxy)propane-1,2-diol (CAS 63834-63-9), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: 3-(3-butylphenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(3-Butylphenoxy)propane-1,2-diol
Property Insights of 3-(3-Butylphenoxy)propane-1,2-diol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Butylphenoxy)propane-1,2-diol. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(3-Butylphenoxy)propane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Butylphenoxy)propane-1,2-diol has 2 hydrogen bond donor(s) and 3 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 3-(3-Butylphenoxy)propane-1,2-diol?
The CAS number of 3-(3-Butylphenoxy)propane-1,2-diol is 63834-63-9.
What is the molecular formula of 3-(3-Butylphenoxy)propane-1,2-diol?
The molecular formula of 3-(3-Butylphenoxy)propane-1,2-diol is C13H20O3.
What is the molecular weight of 3-(3-Butylphenoxy)propane-1,2-diol?
The molecular weight of 3-(3-Butylphenoxy)propane-1,2-diol is 224.14 g/mol.
Where can I buy 3-(3-Butylphenoxy)propane-1,2-diol?
You can request a quote for 3-(3-Butylphenoxy)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Butylphenoxy)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Butylphenoxy)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.