1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl-
TL;DR: 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl- (CAS 3894-17-5) 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-[(2-methoxyphenoxy)methyl]-2-methylpropane-1,3-diol
Also Known As: 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl-, 2-((o-Methoxyphenoxy)methyl)-2-methyl-1,3-propanediol, 2-[(2-methoxyphenoxy)methyl]-2-methylpropane-1,3-diol, 2-[(o-Methoxyphenoxy)methyl]-2-methyl-1,3-propanediol, BRN 2559028
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 3894-17-5 |
|---|---|
| SMILES | CC(CO)(CO)COC1=CC=CC=C1OC |
| InChIKey | HYHFOQTXFVQYIE-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl- (CAS 3894-17-5), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 2-[(2-methoxyphenoxy)methyl]-2-methylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl-
Property Insights of 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl-. With a topological polar surface area (TPSA) of 58.9 Ų, 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl- has 2 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-((o-methoxyphenoxy)methyl)-2-methyl-?
The CAS number of 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl- is 3894-17-5.
What is the molecular formula of 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl-?
The molecular formula of 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl- is C12H18O4.
What is the molecular weight of 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl-?
The molecular weight of 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl- is 226.12 g/mol.
Where can I buy 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl-?
You can request a quote for 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-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-((o-methoxyphenoxy)methyl)-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-((o-methoxyphenoxy)methyl)-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.