3-(2,4,6-Trichlorophenoxy)-1,2-propanediol
TL;DR: 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol (CAS 5112-23-2) is a chemical compound with molecular formula C9H9Cl3O3 and molecular weight 269.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,6-trichlorophenoxy)propane-1,2-diol
Also Known As: 3-(2,4,6-Trichlorophenoxy)propane-1,2-diol, 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol, 1,2-Propanediol, 3-(2,4,6-trichlorophenoxy)-, NCI60_012185, 1,2-Propanediol,3-(2,4,6-trichlorophenoxy)-
| Molecular Formula | C9H9Cl3O3 |
|---|---|
| Molecular Weight | 269.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.96173 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 5112-23-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)OCC(CO)O)Cl)Cl |
| InChIKey | UEYYGXZIKYKIMT-UHFFFAOYSA-N |
Product Overview
3-(2,4,6-Trichlorophenoxy)-1,2-propanediol (CAS 5112-23-2), with molecular formula C9H9Cl3O3 and molecular weight 269.96 g/mol. IUPAC: 3-(2,4,6-trichlorophenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol
Property Insights of 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol 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 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol?
The CAS number of 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol is 5112-23-2.
What is the molecular formula of 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol?
The molecular formula of 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol is C9H9Cl3O3.
What is the molecular weight of 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol?
The molecular weight of 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol is 269.96 g/mol.
Where can I buy 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol?
You can request a quote for 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4,6-Trichlorophenoxy)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.