3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
TL;DR: 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine (CAS 309286-72-4) is a chemical compound with molecular formula C17H17ClS2 and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
Also Known As: ChemDiv1_027809, BAS 01181118, Benzo[e]dithiepane, 2-(4-chlorophenyl)-6,7-dimethyl-, 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine, A2136/0089689
| Molecular Formula | C17H17ClS2 |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.04602 |
| Heavy Atoms | 20 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 309286-72-4 |
|---|---|
| SMILES | CC1=CC2=C(CSC(SC2)C3=CC=C(C=C3)Cl)C=C1C |
| InChIKey | LYXCNZZKJSEEEB-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine (CAS 309286-72-4), with molecular formula C17H17ClS2 and molecular weight 320.05 g/mol. IUPAC: 3-(4-chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine.
Chemical Property Profile of 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
Property Insights of 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
The XLogP value of 5.6 indicates that 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine 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-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The CAS number of 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is 309286-72-4.
What is the molecular formula of 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The molecular formula of 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is C17H17ClS2.
What is the molecular weight of 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
The molecular weight of 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine is 320.05 g/mol.
Where can I buy 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
You can request a quote for 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.