N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide
TL;DR: N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide (CAS 620557-88-2) is a chemical compound with molecular formula C20H22FNO5S and molecular weight 407.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
Also Known As: N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide, N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide
| Molecular Formula | C20H22FNO5S |
|---|---|
| Molecular Weight | 407.12 g/mol |
| LogP | 2.6724 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.12027 |
| Heavy Atoms | 28 |
| Complexity | 976.3114 |
Chemical Identifiers
| CAS Number | 620557-88-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=CC=C3F)OC |
Product Overview
N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide (CAS 620557-88-2), with molecular formula C20H22FNO5S and molecular weight 407.12 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-fluorobenzamide.
Chemical Property Profile of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide
Property Insights of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide
The XLogP value of 2.6724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide 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-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide?
The CAS number of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide is 620557-88-2.
What is the molecular formula of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide?
The molecular formula of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide is C20H22FNO5S.
What is the molecular weight of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide?
The molecular weight of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide is 407.12 g/mol.
Where can I buy N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide?
You can request a quote for N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.