![2-{2-[(Prop-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/7638/76382-93-9.webp)
2-{2-[(Prop-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-[(Prop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 76382-93-9) is a chemical compound with molecular formula C19H16N2O2S2 and molecular weight 368.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 2-{2-[(Prop-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-Prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
| Molecular Formula | C19H16N2O2S2 |
|---|---|
| Molecular Weight | 368.07 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.0653 |
| Heavy Atoms | 25 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 76382-93-9 |
|---|---|
| SMILES | C=CCSC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 |
| InChIKey | HUSVMZIKWFAXQK-UHFFFAOYSA-N |
Product Overview
2-{2-[(Prop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 76382-93-9), with molecular formula C19H16N2O2S2 and molecular weight 368.07 g/mol. IUPAC: 4-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 2-{2-[(Prop-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-[(Prop-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 3.8 indicates that 2-{2-[(Prop-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-[(Prop-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-[(Prop-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-[(Prop-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-[(Prop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 76382-93-9.
What is the molecular formula of 2-{2-[(Prop-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-[(Prop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C19H16N2O2S2.
What is the molecular weight of 2-{2-[(Prop-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-[(Prop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 368.07 g/mol.
Where can I buy 2-{2-[(Prop-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-[(Prop-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-[(Prop-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-[(Prop-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.