1-Chloro-3-(4-chlorophenoxy)propan-2-ol
TL;DR: 1-Chloro-3-(4-chlorophenoxy)propan-2-ol (CAS 52243-40-0) is a chemical compound with molecular formula C9H10Cl2O2 and molecular weight 220.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(4-chlorophenoxy)propan-2-ol
Also Known As: 1-chloro-3-(4-chlorophenoxy)propan-2-ol, 4-chloro-hippuric acid ethyl ester, 1-chloro-3-(4-chlorophenoxy)-2-propanol, 2-Propanol,1-chloro-3-(4-chlorophenoxy)-, 1-chloro3-(p-chlorophenoxy)-2-propanol
| Molecular Formula | C9H10Cl2O2 |
|---|---|
| Molecular Weight | 220.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.00578 |
| Heavy Atoms | 13 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 52243-40-0 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC(CCl)O)Cl |
| InChIKey | VWCSAUUNSFLUSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Chloro-3-(4-chlorophenoxy)propan-2-ol (CAS 52243-40-0), with molecular formula C9H10Cl2O2 and molecular weight 220.01 g/mol. IUPAC: 1-chloro-3-(4-chlorophenoxy)propan-2-ol.
Chemical Property Profile of 1-Chloro-3-(4-chlorophenoxy)propan-2-ol
Property Insights of 1-Chloro-3-(4-chlorophenoxy)propan-2-ol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-(4-chlorophenoxy)propan-2-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Chloro-3-(4-chlorophenoxy)propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-(4-chlorophenoxy)propan-2-ol has 1 hydrogen bond donor(s) and 2 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-Chloro-3-(4-chlorophenoxy)propan-2-ol?
The CAS number of 1-Chloro-3-(4-chlorophenoxy)propan-2-ol is 52243-40-0.
What is the molecular formula of 1-Chloro-3-(4-chlorophenoxy)propan-2-ol?
The molecular formula of 1-Chloro-3-(4-chlorophenoxy)propan-2-ol is C9H10Cl2O2.
What is the molecular weight of 1-Chloro-3-(4-chlorophenoxy)propan-2-ol?
The molecular weight of 1-Chloro-3-(4-chlorophenoxy)propan-2-ol is 220.01 g/mol.
Where can I buy 1-Chloro-3-(4-chlorophenoxy)propan-2-ol?
You can request a quote for 1-Chloro-3-(4-chlorophenoxy)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-(4-chlorophenoxy)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(4-chlorophenoxy)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.