3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one
TL;DR: 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one (CAS 7223-96-3) is a chemical compound with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1λ6,2,5-benzothiadiazocin-6-one
Also Known As: dithioacetylacetone, 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1, 3-(Dimethylamino)-6-hydroxy-4,4-dimethyl-1lambda~6~,2,5-benzothiadiazocine-1,1(4H)-dione
| Molecular Formula | C13H17N3O3S |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 0.8574 |
| Topological Polar Surface Area | 78.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.09906 |
| Heavy Atoms | 20 |
| Complexity | 690.5679 |
Chemical Identifiers
| CAS Number | 7223-96-3 |
|---|---|
| SMILES | CC1(C(=NS(=O)(=O)C2=CC=CC=C2C(=O)N1)N(C)C)C |
Product Overview
3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one (CAS 7223-96-3), with molecular formula C13H17N3O3S and molecular weight 295.10 g/mol. IUPAC: 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1λ6,2,5-benzothiadiazocin-6-one.
Chemical Property Profile of 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one
Property Insights of 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one
The XLogP value of 0.8574 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one. The TPSA of 78.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one. Following Lipinski's Rule of Five, 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one has 1 hydrogen bond donor(s) and 4 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 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one?
The CAS number of 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one is 7223-96-3.
What is the molecular formula of 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one?
The molecular formula of 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one is C13H17N3O3S.
What is the molecular weight of 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one?
The molecular weight of 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one is 295.10 g/mol.
Where can I buy 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one?
You can request a quote for 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(dimethylamino)-4,4-dimethyl-1,1-dioxo-5H-1lambda6,2,5-benzothiadiazocin-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.