1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-
TL;DR: 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)- (CAS 64049-38-3) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-[(4-methylphenoxy)methyl]propane-1,3-diol
Also Known As: 2-(hydroxymethyl)-2-[(4-methylphenoxy)methyl]propane-1,3-diol, 2-Hydroxymethyl-2-(p-tolyloxymethyl)-1,3-propanediol, 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-, 4-06-00-02108 (Beilstein Handbook Reference), 2-(Hydroxymethyl)-2-(p-tolyloxymethyl)-1,3-propanediol
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 64049-38-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(CO)(CO)CO |
| InChIKey | KYBVWWVRKOYDNI-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)- (CAS 64049-38-3), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 2-(hydroxymethyl)-2-[(4-methylphenoxy)methyl]propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-
Property Insights of 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)- has 3 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 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-?
The CAS number of 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)- is 64049-38-3.
What is the molecular formula of 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-?
The molecular formula of 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)- is C12H18O4.
What is the molecular weight of 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-?
The molecular weight of 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)- is 226.12 g/mol.
Where can I buy 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-?
You can request a quote for 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-hydroxymethyl-2-(p-tolyloxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.