3-(2-Hydroxyphenoxy)propane-1,2-diol
TL;DR: 3-(2-Hydroxyphenoxy)propane-1,2-diol (CAS 19826-87-0) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyphenoxy)propane-1,2-diol
Also Known As: 3-(2-hydroxyphenoxy)propane-1,2-diol, O-Desmethylguaifenesin, Guaifenesin M (des-methyl), O-Desmethyl Guaifenesin, 3-(2-hydroxyphenoxy)-1,2-propanediol
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 19826-87-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)O)OCC(CO)O |
| InChIKey | YFTRBASNPFHPAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Hydroxyphenoxy)propane-1,2-diol (CAS 19826-87-0), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: 3-(2-hydroxyphenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(2-Hydroxyphenoxy)propane-1,2-diol
Property Insights of 3-(2-Hydroxyphenoxy)propane-1,2-diol
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Hydroxyphenoxy)propane-1,2-diol. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Hydroxyphenoxy)propane-1,2-diol. Following Lipinski's Rule of Five, 3-(2-Hydroxyphenoxy)propane-1,2-diol 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 3-(2-Hydroxyphenoxy)propane-1,2-diol?
The CAS number of 3-(2-Hydroxyphenoxy)propane-1,2-diol is 19826-87-0.
What is the molecular formula of 3-(2-Hydroxyphenoxy)propane-1,2-diol?
The molecular formula of 3-(2-Hydroxyphenoxy)propane-1,2-diol is C9H12O4.
What is the molecular weight of 3-(2-Hydroxyphenoxy)propane-1,2-diol?
The molecular weight of 3-(2-Hydroxyphenoxy)propane-1,2-diol is 184.07 g/mol.
Where can I buy 3-(2-Hydroxyphenoxy)propane-1,2-diol?
You can request a quote for 3-(2-Hydroxyphenoxy)propane-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Hydroxyphenoxy)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Hydroxyphenoxy)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.