5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) structure

5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)

TL;DR: 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) (CAS 866008-40-4) is a chemical compound with molecular formula C22H18N2O2S2 and molecular weight 406.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

8-phenylmethoxyimino-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-18-one

Also Known As: 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)

CAS: 866008-40-4
Molecular Formula C22H18N2O2S2
Molecular Weight 406.08 g/mol
LogP 5.0704
Topological Polar Surface Area 41.9 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 406.08096
Heavy Atoms 28
Complexity 1045.4551

Chemical Identifiers

CAS Number 866008-40-4
SMILES C1C2=C(C=CS2)C(=NOCC3=CC=CC=C3)CSC4N1C(=O)C5=CC=CC=C45

Product Overview

5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) (CAS 866008-40-4), with molecular formula C22H18N2O2S2 and molecular weight 406.08 g/mol. IUPAC: 8-phenylmethoxyimino-4,10-dithia-1-azatetracyclo[9.7.0.03,7.012,17]octadeca-3(7),5,12,14,16-pentaen-18-one.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)

XLogP
5.0704
TPSA (Topological Polar Surface Area)
41.9
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
3
Heavy Atoms
28
Complexity
1045.4551
Exact Mass
406.08096
Monoisotopic Mass
406.08096
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)

The XLogP value of 5.0704 indicates that 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
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Frequently Asked Questions

What is the CAS number of 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)?

The CAS number of 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) is 866008-40-4.

What is the molecular formula of 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)?

The molecular formula of 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) is C22H18N2O2S2.

What is the molecular weight of 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)?

The molecular weight of 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) is 406.08 g/mol.

Where can I buy 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)?

You can request a quote for 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime)?

Yes, KEHONG BIO provides custom synthesis services for 5H-thieno[2',3':5,6][1,3]thiazocino[2,3-a]isoindole-4,11(6aH,13H)-dione 4-(O-benzyloxime) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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