N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine
TL;DR: N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine (CAS 38570-94-4) is a chemical compound with molecular formula C8H7NO4S and molecular weight 213.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methoxy-1,1-dioxo-2,1λ6-benzoxathiol-3-imine
Also Known As: N-methoxy-1,1-dioxo-2,1, (Z)-N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine
| Molecular Formula | C8H7NO4S |
|---|---|
| Molecular Weight | 213.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 73.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.00958 |
| Heavy Atoms | 14 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 38570-94-4 |
|---|---|
| SMILES | CON=C1C2=CC=CC=C2S(=O)(=O)O1 |
| InChIKey | GHARBVJGZKXNQM-UHFFFAOYSA-N |
Product Overview
N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine (CAS 38570-94-4), with molecular formula C8H7NO4S and molecular weight 213.01 g/mol. IUPAC: N-methoxy-1,1-dioxo-2,1λ6-benzoxathiol-3-imine.
Chemical Property Profile of N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine
Property Insights of N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine. The TPSA of 73.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine. Following Lipinski's Rule of Five, N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine has 0 hydrogen bond donor(s) and 5 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 N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine?
The CAS number of N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine is 38570-94-4.
What is the molecular formula of N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine?
The molecular formula of N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine is C8H7NO4S.
What is the molecular weight of N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine?
The molecular weight of N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine is 213.01 g/mol.
Where can I buy N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine?
You can request a quote for N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine?
Yes, KEHONG BIO provides custom synthesis services for N-methoxy-1,1-dioxo-2,1lambda6-benzoxathiol-3-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.