![4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one structure](/static/products/3391/339105-91-8.webp)
4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
TL;DR: 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (CAS 339105-91-8) is a chemical compound with molecular formula C14H11Cl2NOS2 and molecular weight 342.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dichlorophenyl)methyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one
Also Known As: 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one, 4-[(2,4-dichlorophenyl)methyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one, 4-[(2,4-dichlorophenyl)methyl]-2H,3H,4H,5H-thieno[3,2-f][1,4]thiazepin-5-one, 4-[(2,4-dichlorophenyl)methyl]-2H,3H-thieno[3,2-f][1,4]thiazepin-5-one
| Molecular Formula | C14H11Cl2NOS2 |
|---|---|
| Molecular Weight | 342.97 g/mol |
| LogP | 4.803 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.9659 |
| Heavy Atoms | 20 |
| Complexity | 656.3735 |
Chemical Identifiers
| CAS Number | 339105-91-8 |
|---|---|
| SMILES | C1CSC2=C(C=CS2)C(=O)N1CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one (CAS 339105-91-8), with molecular formula C14H11Cl2NOS2 and molecular weight 342.97 g/mol. IUPAC: 4-[(2,4-dichlorophenyl)methyl]-2,3-dihydrothieno[3,2-f][1,4]thiazepin-5-one.
Chemical Property Profile of 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
Property Insights of 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one
The XLogP value of 4.803 indicates that 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one has 0 hydrogen bond donor(s) and 3 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 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The CAS number of 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is 339105-91-8.
What is the molecular formula of 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The molecular formula of 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is C14H11Cl2NOS2.
What is the molecular weight of 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
The molecular weight of 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one is 342.97 g/mol.
Where can I buy 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
You can request a quote for 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-dichlorobenzyl)-3,4-dihydrothieno[3,2-f][1,4]thiazepin-5(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.