N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine
TL;DR: N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine (CAS 72000-04-5) is a chemical compound with molecular formula C15H17NO2S and molecular weight 275.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine
Also Known As: N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine, 3-(Dimethylamino)-3-(naphthalen-2-yl)-1lambda~6~-thietane-1,1-dione
| Molecular Formula | C15H17NO2S |
|---|---|
| Molecular Weight | 275.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.098 |
| Heavy Atoms | 19 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 72000-04-5 |
|---|---|
| SMILES | CN(C)C1(CS(=O)(=O)C1)C2=CC3=CC=CC=C3C=C2 |
| InChIKey | VXOZHLXSZJBTHZ-UHFFFAOYSA-N |
Product Overview
N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine (CAS 72000-04-5), with molecular formula C15H17NO2S and molecular weight 275.10 g/mol. IUPAC: N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine.
Chemical Property Profile of N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine
Property Insights of N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine. With a topological polar surface area (TPSA) of 45.8 Ų, N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine has 0 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 N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine?
The CAS number of N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine is 72000-04-5.
What is the molecular formula of N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine?
The molecular formula of N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine is C15H17NO2S.
What is the molecular weight of N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine?
The molecular weight of N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine is 275.10 g/mol.
Where can I buy N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine?
You can request a quote for N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-3-naphthalen-2-yl-1,1-dioxothietan-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.