3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine
TL;DR: 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine (CAS 696602-74-1) is a chemical compound with molecular formula C21H15ClOS and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-methylidene-5-phenyl-2-thiophen-2-yl-5H-1-benzoxepine
Also Known As: 3-chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine, A3563/0151145, 3-chloro-4-methylidene-5-phenyl-2-thiophen-2-yl-5H-1-benzoxepine, 3-chloro-4-methylene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydrobenzo[b]oxepine
| Molecular Formula | C21H15ClOS |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 6.4362 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.05322 |
| Heavy Atoms | 24 |
| Complexity | 910.0314 |
Chemical Identifiers
| CAS Number | 696602-74-1 |
|---|---|
| SMILES | C=C1C(C2=CC=CC=C2OC(=C1Cl)C3=CC=CS3)C4=CC=CC=C4 |
Product Overview
3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine (CAS 696602-74-1), with molecular formula C21H15ClOS and molecular weight 350.05 g/mol. IUPAC: 3-chloro-4-methylidene-5-phenyl-2-thiophen-2-yl-5H-1-benzoxepine.
Chemical Property Profile of 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine
Property Insights of 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine
The XLogP value of 6.4362 indicates that 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-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-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-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-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine?
The CAS number of 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine is 696602-74-1.
What is the molecular formula of 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine?
The molecular formula of 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine is C21H15ClOS.
What is the molecular weight of 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine?
The molecular weight of 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine is 350.05 g/mol.
Where can I buy 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine?
You can request a quote for 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-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-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methylidene-5-phenyl-2-(thiophen-2-yl)-4,5-dihydro-1-benzoxepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.