![2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione structure](/static/products/7638/76383-01-2.webp)
2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
TL;DR: 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 76383-01-2) is a chemical compound with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyclohex-2-en-1-ylsulfanyl-1,3-benzothiazol-6-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-(2-Cyclohex-2-en-1-ylsulfanyl-1,3-benzothiazol-6-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
| Molecular Formula | C22H20N2O2S2 |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.09662 |
| Heavy Atoms | 28 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 76383-01-2 |
|---|---|
| SMILES | C1CC=CC(C1)SC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6 |
| InChIKey | LEFZOUDMQFBAFK-UHFFFAOYSA-N |
Product Overview
2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 76383-01-2), with molecular formula C22H20N2O2S2 and molecular weight 408.10 g/mol. IUPAC: 4-(2-cyclohex-2-en-1-ylsulfanyl-1,3-benzothiazol-6-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Property Insights of 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
The XLogP value of 4.6 indicates that 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione has 0 hydrogen bond donor(s) and 5 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 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The CAS number of 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 76383-01-2.
What is the molecular formula of 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular formula of 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C22H20N2O2S2.
What is the molecular weight of 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
The molecular weight of 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 408.10 g/mol.
Where can I buy 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
You can request a quote for 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[(Cyclohex-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.