1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-
TL;DR: 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- (CAS 7271-80-9) is a chemical compound with molecular formula C12H18O5 and molecular weight 242.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-[(2-methoxyphenoxy)methyl]propane-1,3-diol
Also Known As: 2-2-[methyl]-1,3-propanediol, 2- -2-[ methyl]-1,3-propanediol, 4-06-00-05579 (Beilstein Handbook Reference), 2-(hydroxymethyl)-2-[(2-methoxyphenoxy)methyl]propane-1,3-diol, 2-Hydroxymethyl-2-(o-methoxyphenoxymethyl)-1,3-propanediol
| Molecular Formula | C12H18O5 |
|---|---|
| Molecular Weight | 242.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.11542 |
| Heavy Atoms | 17 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 7271-80-9 |
|---|---|
| SMILES | COC1=CC=CC=C1OCC(CO)(CO)CO |
| InChIKey | AAQFEENIXHFFDP-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- (CAS 7271-80-9), with molecular formula C12H18O5 and molecular weight 242.12 g/mol. IUPAC: 2-(hydroxymethyl)-2-[(2-methoxyphenoxy)methyl]propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-
Property Insights of 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-
The XLogP value of -0.3 indicates that 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- has 3 hydrogen bond donor(s) and 5 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-(o-methoxyphenoxymethyl)-?
The CAS number of 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- is 7271-80-9.
What is the molecular formula of 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-?
The molecular formula of 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- is C12H18O5.
What is the molecular weight of 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-?
The molecular weight of 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- is 242.12 g/mol.
Where can I buy 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)-?
You can request a quote for 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- 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-(o-methoxyphenoxymethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-hydroxymethyl-2-(o-methoxyphenoxymethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.