Octahydro-1lambda6,2-benzothiazole-1,1,3-trione
TL;DR: Octahydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 136495-86-8) is a chemical compound with molecular formula C7H11NO3S and molecular weight 189.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one
Also Known As: Octahydro-1,2-benzothiazole-1,1,3-trione, octahydro-1lambda6,2-benzothiazole-1,1,3-trione, 9,9-dioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nonan-7-one, 1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one, rac-(3aR,7aR)-octahydro-1lambda6,2-benzothiazole-1,1,3-trione, cis
| Molecular Formula | C7H11NO3S |
|---|---|
| Molecular Weight | 189.05 g/mol |
| LogP | 0.0048 |
| Topological Polar Surface Area | 63.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.04596 |
| Heavy Atoms | 12 |
| Complexity | 308.6132 |
Chemical Identifiers
| CAS Number | 136495-86-8 |
|---|---|
| SMILES | C1CCC2C(C1)C(=O)NS2(=O)=O |
Product Overview
Octahydro-1lambda6,2-benzothiazole-1,1,3-trione (CAS 136495-86-8), with molecular formula C7H11NO3S and molecular weight 189.05 g/mol. IUPAC: 1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one.
Chemical Property Profile of Octahydro-1lambda6,2-benzothiazole-1,1,3-trione
Property Insights of Octahydro-1lambda6,2-benzothiazole-1,1,3-trione
The XLogP value of 0.0048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydro-1lambda6,2-benzothiazole-1,1,3-trione. The TPSA of 63.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Octahydro-1lambda6,2-benzothiazole-1,1,3-trione. Following Lipinski's Rule of Five, Octahydro-1lambda6,2-benzothiazole-1,1,3-trione has 1 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 Octahydro-1lambda6,2-benzothiazole-1,1,3-trione?
The CAS number of Octahydro-1lambda6,2-benzothiazole-1,1,3-trione is 136495-86-8.
What is the molecular formula of Octahydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular formula of Octahydro-1lambda6,2-benzothiazole-1,1,3-trione is C7H11NO3S.
What is the molecular weight of Octahydro-1lambda6,2-benzothiazole-1,1,3-trione?
The molecular weight of Octahydro-1lambda6,2-benzothiazole-1,1,3-trione is 189.05 g/mol.
Where can I buy Octahydro-1lambda6,2-benzothiazole-1,1,3-trione?
You can request a quote for Octahydro-1lambda6,2-benzothiazole-1,1,3-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydro-1lambda6,2-benzothiazole-1,1,3-trione?
Yes, KEHONG BIO provides custom synthesis services for Octahydro-1lambda6,2-benzothiazole-1,1,3-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.