3-(Pentachlorophenoxy)propane-1,2-diol
TL;DR: 3-(Pentachlorophenoxy)propane-1,2-diol (CAS 19404-83-2) is a chemical compound with molecular formula C9H7Cl5O3 and molecular weight 337.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3,4,5,6-pentachlorophenoxy)propane-1,2-diol
Also Known As: 3-(pentachlorophenoxy)propane-1,2-diol, 3-(2,3,4,5,6-pentachlorophenoxy)propane-1,2-diol, 1,2-Propanediol,3-(2,3,4,5,6-pentachlorophenoxy)-
| Molecular Formula | C9H7Cl5O3 |
|---|---|
| Molecular Weight | 337.88 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.8838 |
| Heavy Atoms | 17 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 19404-83-2 |
|---|---|
| SMILES | C(C(COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O)O |
| InChIKey | CZTIEHUBVATAFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Pentachlorophenoxy)propane-1,2-diol (CAS 19404-83-2), with molecular formula C9H7Cl5O3 and molecular weight 337.88 g/mol. IUPAC: 3-(2,3,4,5,6-pentachlorophenoxy)propane-1,2-diol.
Chemical Property Profile of 3-(Pentachlorophenoxy)propane-1,2-diol
Property Insights of 3-(Pentachlorophenoxy)propane-1,2-diol
The XLogP value of 3.7 indicates that 3-(Pentachlorophenoxy)propane-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 3-(Pentachlorophenoxy)propane-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Pentachlorophenoxy)propane-1,2-diol 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-(Pentachlorophenoxy)propane-1,2-diol?
The CAS number of 3-(Pentachlorophenoxy)propane-1,2-diol is 19404-83-2.
What is the molecular formula of 3-(Pentachlorophenoxy)propane-1,2-diol?
The molecular formula of 3-(Pentachlorophenoxy)propane-1,2-diol is C9H7Cl5O3.
What is the molecular weight of 3-(Pentachlorophenoxy)propane-1,2-diol?
The molecular weight of 3-(Pentachlorophenoxy)propane-1,2-diol is 337.88 g/mol.
Where can I buy 3-(Pentachlorophenoxy)propane-1,2-diol?
You can request a quote for 3-(Pentachlorophenoxy)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-(Pentachlorophenoxy)propane-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for 3-(Pentachlorophenoxy)propane-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.