1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-
TL;DR: 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- (CAS 64049-47-4) 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-(3,5-dimethylphenoxy)-2-methylpropane-1,2-diol
Also Known As: 3-(3,5-dimethylphenoxy)-2-methylpropane-1,2-diol, 2-Methyl-3-(3,5-dimethylphenoxy)-1,2-propanediol, 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-, 4-06-00-03144 (Beilstein Handbook Reference), 3-(3,5-Dimethyl-phenoxy)-2-methyl-propan-1,2-diol
| Molecular Formula | C12H18O3 |
|---|---|
| Molecular Weight | 210.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 64049-47-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(C)(CO)O)C |
| InChIKey | FQNXWYNWKZQFCN-UHFFFAOYSA-N |
Product Overview
1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- (CAS 64049-47-4), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 3-(3,5-dimethylphenoxy)-2-methylpropane-1,2-diol.
Chemical Property Profile of 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-
Property Insights of 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- 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, 2-methyl-3-(3,5-dimethylphenoxy)-?
The CAS number of 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- is 64049-47-4.
What is the molecular formula of 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-?
The molecular formula of 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- is C12H18O3.
What is the molecular weight of 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-?
The molecular weight of 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- is 210.13 g/mol.
Where can I buy 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)-?
You can request a quote for 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- 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, 2-methyl-3-(3,5-dimethylphenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol, 2-methyl-3-(3,5-dimethylphenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.