7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
TL;DR: 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CAS 54371-87-8) is a chemical compound with molecular formula C7H5IN2O3S and molecular weight 323.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
Also Known As: 2H-1,2,4-Benzothiadiazin-3(4H)-one, 7-iodo-, 1,1-dioxide, 3-iodo-10,10-dioxo-10$l^{6}-thia-7,9-diazabicyclo[4.4.0]deca-2,4,11-trien-8-one
| Molecular Formula | C7H5IN2O3S |
|---|---|
| Molecular Weight | 323.91 g/mol |
| LogP | 1.115 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 323.90656 |
| Heavy Atoms | 14 |
| Complexity | 511.66623 |
Chemical Identifiers
| CAS Number | 54371-87-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1I)S(=O)(=O)NC(=O)N2 |
Product Overview
7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one (CAS 54371-87-8), with molecular formula C7H5IN2O3S and molecular weight 323.91 g/mol. IUPAC: 7-iodo-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one.
Chemical Property Profile of 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
Property Insights of 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one
The XLogP value of 1.115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one. Following Lipinski's Rule of Five, 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one has 2 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 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The CAS number of 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is 54371-87-8.
What is the molecular formula of 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The molecular formula of 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is C7H5IN2O3S.
What is the molecular weight of 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
The molecular weight of 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one is 323.91 g/mol.
Where can I buy 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
You can request a quote for 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7-iodo-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.