2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
TL;DR: 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione (CAS 16189-38-1) is a chemical compound with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-ethoxy-1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
Also Known As: A,B-methyleneguanosine 5'-diphosphate,*sodium, 2-(6-ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione, 2-(6-ethoxy-1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydro-o, 2-(6-ethoxy-1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydro-octahydro-1H-4,7-epoxyisoindole-1,3-dione
| Molecular Formula | C17H16N2O4S |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.08307 |
| Heavy Atoms | 24 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 16189-38-1 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(=O)C4C5CCC(C4C3=O)O5 |
| InChIKey | QUNMFLKWYQTRDU-UHFFFAOYSA-N |
Product Overview
2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione (CAS 16189-38-1), with molecular formula C17H16N2O4S and molecular weight 344.08 g/mol. IUPAC: 2-(6-ethoxy-1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione.
Chemical Property Profile of 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
Property Insights of 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione. Following Lipinski's Rule of Five, 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione has 0 hydrogen bond donor(s) and 6 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-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
The CAS number of 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione is 16189-38-1.
What is the molecular formula of 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
The molecular formula of 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione is C17H16N2O4S.
What is the molecular weight of 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
The molecular weight of 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione is 344.08 g/mol.
Where can I buy 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
You can request a quote for 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-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-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Ethoxy-1,3-benzothiazol-2-yl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.