N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide
TL;DR: N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide (CAS 578757-06-9) is a chemical compound with molecular formula C17H25NO3S and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-methylpropanamide
Also Known As: N-(1,1-dioxo-1, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-2-methylpropanamide, F1673-5834, N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-methylpropanamide
| Molecular Formula | C17H25NO3S |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 2.4207 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.15552 |
| Heavy Atoms | 22 |
| Complexity | 619.8091 |
Chemical Identifiers
| CAS Number | 578757-06-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C(C)C |
Product Overview
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide (CAS 578757-06-9), with molecular formula C17H25NO3S and molecular weight 323.16 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]-2-methylpropanamide.
Chemical Property Profile of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide
Property Insights of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide
The XLogP value of 2.4207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide. With a topological polar surface area (TPSA) of 54.45 Ų, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide 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-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide?
The CAS number of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide is 578757-06-9.
What is the molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide?
The molecular formula of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide is C17H25NO3S.
What is the molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide?
The molecular weight of N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide is 323.16 g/mol.
Where can I buy N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide?
You can request a quote for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)isobutyramide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.