3,3'-二氯二苯醚
TL;DR: 3,3'-二氯二苯醚 (CAS 8057-21-4) is a chemical compound with molecular formula C12H8Cl2O and molecular weight 238.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3'-二氯二苯醚
1-chloro-3-(3-chlorophenoxy)benzene
Also Known As: 3,3'-Oxybis(chlorobenzene), 3,3'-Dichlorodiphenyl ether, bis(3-chlorophenyl) ether, Ether, bis(m-chlorophenyl), Benzene, 1,1'-oxybis[3-chloro-
| Molecular Formula | C12H8Cl2O |
|---|---|
| Molecular Weight | 238.00 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.99522 |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 8057-21-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OC2=CC(=CC=C2)Cl |
| InChIKey | RQMZSXZFMWCEET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-二氯二苯醚 (CAS 8057-21-4), with molecular formula C12H8Cl2O and molecular weight 238.00 g/mol. IUPAC: 1-chloro-3-(3-chlorophenoxy)benzene.
Chemical Property Profile of 3,3'-二氯二苯醚
Property Insights of 3,3'-二氯二苯醚
The XLogP value of 4.7 indicates that 3,3'-二氯二苯醚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 3,3'-二氯二苯醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-二氯二苯醚 has 0 hydrogen bond donor(s) and 1 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 3,3'-二氯二苯醚?
The CAS number of 3,3'-二氯二苯醚 is 8057-21-4.
What is the molecular formula of 3,3'-二氯二苯醚?
The molecular formula of 3,3'-二氯二苯醚 is C12H8Cl2O.
What is the molecular weight of 3,3'-二氯二苯醚?
The molecular weight of 3,3'-二氯二苯醚 is 238.00 g/mol.
Where can I buy 3,3'-二氯二苯醚?
You can request a quote for 3,3'-二氯二苯醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-二氯二苯醚?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-二氯二苯醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.