![isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione structure](/static/products/866/866009-27-0.png)
isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione
TL;DR: isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione (CAS 866009-27-0) is a chemical compound with molecular formula C16H11NO2S and molecular weight 281.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7aH-isoindolo[2,3-a][3,1]benzothiazepine-5,12-dione
Also Known As: isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione, 7aH-isoindolo[2,3-a][3,1]benzothiazepine-5,12-dione, 10-thia-1-azatetracyclo[9.7.0.0^{2,7}.0^{12,17}]octadeca-2(7),3,5,12(17),13,15-hexaene-8,18-dione, 10-thia-1-azatetracyclo[9.7.0.0(2),?.0(1)(2),(1)?]octadeca-2,4,6,12(17),13,15-hexaene-8,18-dione
| Molecular Formula | C16H11NO2S |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 3.2751 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 281.05106 |
| Heavy Atoms | 20 |
| Complexity | 740.76166 |
Chemical Identifiers
| CAS Number | 866009-27-0 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2N3C(S1)C4=CC=CC=C4C3=O |
Product Overview
isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione (CAS 866009-27-0), with molecular formula C16H11NO2S and molecular weight 281.05 g/mol. IUPAC: 7aH-isoindolo[2,3-a][3,1]benzothiazepine-5,12-dione.
Chemical Property Profile of isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione
Property Insights of isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione
The XLogP value of 3.2751 indicates that isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione 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 isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione?
The CAS number of isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione is 866009-27-0.
What is the molecular formula of isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione?
The molecular formula of isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione is C16H11NO2S.
What is the molecular weight of isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione?
The molecular weight of isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione is 281.05 g/mol.
Where can I buy isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione?
You can request a quote for isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione?
Yes, KEHONG BIO provides custom synthesis services for isoindolo[2,1-a][3,1]benzothiazepine-5,12(6H,7aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.