1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-
TL;DR: 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- (CAS 3753-51-3) 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.
2-methyl-2-[(3-methylphenoxy)methyl]propane-1,3-diol
Also Known As: 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-, 2-Methyl-2-((m-tolyloxy)methyl)-1,3-propanediol, 2-methyl-2-[(3-methylphenoxy)methyl]propane-1,3-diol, 2-Methyl-2-[(m-tolyloxy)methyl]-1,3-propanediol, BRN 2556344
| 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 | 5 |
| Exact Mass | 210.1256 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 3753-51-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(C)(CO)CO |
| InChIKey | KMCNWXDSKCODIU-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- (CAS 3753-51-3), with molecular formula C12H18O3 and molecular weight 210.13 g/mol. IUPAC: 2-methyl-2-[(3-methylphenoxy)methyl]propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-
Property Insights of 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-. With a topological polar surface area (TPSA) of 49.7 Ų, 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- 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 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-?
The CAS number of 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- is 3753-51-3.
What is the molecular formula of 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-?
The molecular formula of 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- is C12H18O3.
What is the molecular weight of 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-?
The molecular weight of 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- is 210.13 g/mol.
Where can I buy 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)-?
You can request a quote for 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- 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-methyl-2-((m-tolyloxy)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-methyl-2-((m-tolyloxy)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.