1,2-Propanediol, 3-(p-propylphenoxy)-
TL;DR: 1,2-Propanediol, 3-(p-propylphenoxy)- (CAS 63991-79-7) is a chemical compound with molecular formula C12H18O3 and molecular weight 210.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-propylphenoxy)propane-1,2-diol
Also Known As: 3-(p-Propylphenoxy)-1,2-propanediol, 3- -1,2-propanediol, 3-(4-propylphenoxy)propane-1,2-diol, 1,2-Propanediol, 3-(p-propylphenoxy)-, 3-(4-n-propylphenoxy)-propane-1,2-diol
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 63991-79-7 |
|---|---|
| SMILES | CCCC1=CC=C(C=C1)OCC(CO)O |
| InChIKey | JGFCZGSHTBKQHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Propanediol, 3-(p-propylphenoxy)- (CAS 63991-79-7), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 3-(4-propylphenoxy)propane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 3-(p-propylphenoxy)-
Property Insights of 1,2-Propanediol, 3-(p-propylphenoxy)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(p-propylphenoxy)-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,2-Propanediol, 3-(p-propylphenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(p-propylphenoxy)- 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 1,2-Propanediol, 3-(p-propylphenoxy)-?
The CAS number of 1,2-Propanediol, 3-(p-propylphenoxy)- is 63991-79-7.
What is the molecular formula of 1,2-Propanediol, 3-(p-propylphenoxy)-?
The molecular formula of 1,2-Propanediol, 3-(p-propylphenoxy)- is C12H18O3.
What is the molecular weight of 1,2-Propanediol, 3-(p-propylphenoxy)-?
The molecular weight of 1,2-Propanediol, 3-(p-propylphenoxy)- is 210.13 g/mol.
Where can I buy 1,2-Propanediol, 3-(p-propylphenoxy)-?
You can request a quote for 1,2-Propanediol, 3-(p-propylphenoxy)- 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-propylphenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(p-propylphenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.