1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)-
TL;DR: 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- (CAS 64049-40-7) 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-(2-methyl-5-propan-2-ylphenoxy)propane-1,2-diol
Also Known As: Glycerin-, A-carvacrylaether, 3-(5-Isopropyl-o-tolyloxy)-1,2-propanediol, 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)-, 3-(5-isopropyl-2-methylphenoxy)propane-1,2-diol
| 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 | 5 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 64049-40-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(C)C)OCC(CO)O |
| InChIKey | MOTVHOCKVVIRIG-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- (CAS 64049-40-7), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: 3-(2-methyl-5-propan-2-ylphenoxy)propane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)-
Property Insights of 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- 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-(5-isopropyl-o-tolyloxy)-?
The CAS number of 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- is 64049-40-7.
What is the molecular formula of 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)-?
The molecular formula of 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- is C13H20O3.
What is the molecular weight of 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)-?
The molecular weight of 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- is 224.14 g/mol.
Where can I buy 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)-?
You can request a quote for 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- 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-(5-isopropyl-o-tolyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 3-(5-isopropyl-o-tolyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.