1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-
TL;DR: 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl- (CAS 64049-35-0) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-(phenoxymethyl)propane-1,3-diol
Also Known As: 2-Phenoxyethylidynetrismethanol, 2-Hydroxymethyl-2-phenoxymethyl-1,3-propanediol, 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-, 2-(hydroxymethyl)-2-(phenoxymethyl)propane-1,3-diol, 4-06-00-00595 (Beilstein Handbook Reference)
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 64049-35-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(CO)(CO)CO |
| InChIKey | PSIRMGCYQXQWBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl- (CAS 64049-35-0), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: 2-(hydroxymethyl)-2-(phenoxymethyl)propane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-
Property Insights of 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl- 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-phenoxymethyl-?
The CAS number of 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl- is 64049-35-0.
What is the molecular formula of 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-?
The molecular formula of 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl- is C11H16O4.
What is the molecular weight of 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-?
The molecular weight of 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl- is 212.10 g/mol.
Where can I buy 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl-?
You can request a quote for 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl- 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-phenoxymethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-hydroxymethyl-2-phenoxymethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.