3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide
TL;DR: 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide (CAS 851452-57-8) is a chemical compound with molecular formula C12H17NO3S and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
Also Known As: 3-((4-methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide, 3-{[(4-methoxyphenyl)methyl]amino}-1lambda6-thiolane-1,1-dione, 3-{[(4-methoxyphenyl)methyl]amino}thiolane-1,1-dione, N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine, N-(1,1-dioxidotetrahydrothien-3-yl)-N-(4-methoxybenzyl)amine
| Molecular Formula | C12H17NO3S |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 0.9719 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.09291 |
| Heavy Atoms | 17 |
| Complexity | 467.02905 |
Chemical Identifiers
| CAS Number | 851452-57-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC2CCS(=O)(=O)C2 |
Product Overview
3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide (CAS 851452-57-8), with molecular formula C12H17NO3S and molecular weight 255.09 g/mol. IUPAC: N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine.
Chemical Property Profile of 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide
Property Insights of 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide
The XLogP value of 0.9719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide. With a topological polar surface area (TPSA) of 55.4 Ų, 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide 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-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide?
The CAS number of 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide is 851452-57-8.
What is the molecular formula of 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide?
The molecular formula of 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide is C12H17NO3S.
What is the molecular weight of 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide?
The molecular weight of 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide is 255.09 g/mol.
Where can I buy 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide?
You can request a quote for 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-Methoxybenzyl)amino)tetrahydrothiophene 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.