![1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 structure](/static/products/900/90009-28-2.png)
1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1
TL;DR: 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 (CAS 90009-28-2) is a chemical compound with molecular formula C17H14N2O6S2 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1,2-benzothiazol-3-one
Also Known As: 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1, 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1,2-benzothiazol-3-one, 2,2'-propane-1,3-diylbis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide, 2,2'-(Propane-1,3-diyl)di(1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione)
| Molecular Formula | C17H14N2O6S2 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.02933 |
| Heavy Atoms | 27 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 90009-28-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCCN3C(=O)C4=CC=CC=C4S3(=O)=O |
| InChIKey | DXHPMSRDRXGIRK-UHFFFAOYSA-N |
Product Overview
1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 (CAS 90009-28-2), with molecular formula C17H14N2O6S2 and molecular weight 406.03 g/mol. IUPAC: 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1
Property Insights of 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1. Following Lipinski's Rule of Five, 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 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 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1?
The CAS number of 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 is 90009-28-2.
What is the molecular formula of 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1?
The molecular formula of 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 is C17H14N2O6S2.
What is the molecular weight of 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1?
The molecular weight of 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 is 406.03 g/mol.
Where can I buy 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1?
You can request a quote for 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1?
Yes, KEHONG BIO provides custom synthesis services for 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.