N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide
TL;DR: N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide (CAS 620557-44-0) is a chemical compound with molecular formula C23H27NO6S and molecular weight 445.16 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)-4-prop-2-enoxybenzamide
Also Known As: N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide, 4-(allyloxy)-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide, N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-prop-2-enoxy-benzamide, N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-prop-2-enoxybenzamide, 4-(ALLYLOXY)-N-(3,4-DIMETHOXYBENZYL)-N-(1,1-DIOXIDOTETRAHYDRO-3-THIOPHENYL)BENZAMIDE
| Molecular Formula | C23H27NO6S |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 3.0981 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 445.1559 |
| Heavy Atoms | 31 |
| Complexity | 1032.5322 |
Chemical Identifiers
| CAS Number | 620557-44-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC=C(C=C3)OCC=C)OC |
Product Overview
N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide (CAS 620557-44-0), with molecular formula C23H27NO6S and molecular weight 445.16 g/mol. IUPAC: N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-prop-2-enoxybenzamide.
Chemical Property Profile of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide
Property Insights of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide
The XLogP value of 3.0981 indicates that N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide. Following Lipinski's Rule of Five, N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide has 0 hydrogen bond donor(s) and 6 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)-4-(prop-2-en-1-yloxy)benzamide?
The CAS number of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide is 620557-44-0.
What is the molecular formula of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide?
The molecular formula of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide is C23H27NO6S.
What is the molecular weight of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide?
The molecular weight of N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide is 445.16 g/mol.
Where can I buy N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide?
You can request a quote for N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide 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)-4-(prop-2-en-1-yloxy)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)-4-(prop-2-en-1-yloxy)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.