N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium
TL;DR: N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium (CAS 61322-63-2) is a chemical compound with molecular formula C11H14NO2S+ and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]azanium
Also Known As: benzyl-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]azanium, N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium, (3R)-N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium
| Molecular Formula | C11H14NO2S+ |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 0.0607 |
| Topological Polar Surface Area | 50.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.07452 |
| Heavy Atoms | 15 |
| Complexity | 450.73608 |
Chemical Identifiers
| CAS Number | 61322-63-2 |
|---|---|
| SMILES | C1[C@@H](C=CS1(=O)=O)[NH2+]CC2=CC=CC=C2 |
Product Overview
N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium (CAS 61322-63-2), with molecular formula C11H14NO2S+ and molecular weight 224.07 g/mol. IUPAC: benzyl-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]azanium.
Chemical Property Profile of N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium
Property Insights of N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium
The XLogP value of 0.0607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium. With a topological polar surface area (TPSA) of 50.75 Ų, N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium has 1 hydrogen bond donor(s) and 2 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-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium?
The CAS number of N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium is 61322-63-2.
What is the molecular formula of N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium?
The molecular formula of N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium is C11H14NO2S+.
What is the molecular weight of N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium?
The molecular weight of N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium is 224.07 g/mol.
Where can I buy N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium?
You can request a quote for N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium?
Yes, KEHONG BIO provides custom synthesis services for N-Benzyl-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-aminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.