3-氯二苯醚
TL;DR: 3-氯二苯醚 (CAS 6452-49-9) is a chemical compound with molecular formula C12H9ClO and molecular weight 204.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯二苯醚
1-chloro-3-phenoxybenzene
Also Known As: 1-Chloro-3-phenoxybenzene, 3-CHLORODIPHENYL ETHER, Ether, m-chlorophenyl phenyl, Benzene, 1-chloro-3-phenoxy-, m-Chlorophenyl phenyl ether
| Molecular Formula | C12H9ClO |
|---|---|
| Molecular Weight | 204.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0342 |
| Heavy Atoms | 14 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 6452-49-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC(=CC=C2)Cl |
| InChIKey | BMURONZFJJPAOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氯二苯醚 (CAS 6452-49-9), with molecular formula C12H9ClO and molecular weight 204.03 g/mol. IUPAC: 1-chloro-3-phenoxybenzene.
Chemical Property Profile of 3-氯二苯醚
Property Insights of 3-氯二苯醚
The XLogP value of 4.5 indicates that 3-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-氯二苯醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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-氯二苯醚?
The CAS number of 3-氯二苯醚 is 6452-49-9.
What is the molecular formula of 3-氯二苯醚?
The molecular formula of 3-氯二苯醚 is C12H9ClO.
What is the molecular weight of 3-氯二苯醚?
The molecular weight of 3-氯二苯醚 is 204.03 g/mol.
Where can I buy 3-氯二苯醚?
You can request a quote for 3-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-氯二苯醚?
Yes, KEHONG BIO provides custom synthesis services for 3-氯二苯醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.