3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine
TL;DR: 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine (CAS 488121-29-5) is a chemical compound with molecular formula C20H12ClFOS and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(4-fluorophenyl)-2-thiophen-2-yl-1-benzoxepine
Also Known As: 3-chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine, A3555/0150736, 3-chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)benzo[b]oxepine, 3-chloro-5-(4-fluorophenyl)-2-thiophen-2-yl-1-benzoxepine
| Molecular Formula | C20H12ClFOS |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 6.3189 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.02814 |
| Heavy Atoms | 24 |
| Complexity | 940.0349 |
Chemical Identifiers
| CAS Number | 488121-29-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C(O2)C3=CC=CS3)Cl)C4=CC=C(C=C4)F |
Product Overview
3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine (CAS 488121-29-5), with molecular formula C20H12ClFOS and molecular weight 354.03 g/mol. IUPAC: 3-chloro-5-(4-fluorophenyl)-2-thiophen-2-yl-1-benzoxepine.
Chemical Property Profile of 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine
Property Insights of 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine
The XLogP value of 6.3189 indicates that 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine?
The CAS number of 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine is 488121-29-5.
What is the molecular formula of 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine?
The molecular formula of 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine is C20H12ClFOS.
What is the molecular weight of 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine?
The molecular weight of 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine is 354.03 g/mol.
Where can I buy 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine?
You can request a quote for 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(4-fluorophenyl)-2-(thiophen-2-yl)-1-benzoxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.