3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
TL;DR: 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 620557-91-7) is a chemical compound with molecular formula C20H22ClNO5S and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
Also Known As: ChemDiv3_005798, IDI1_023708, 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide, BRD-A16373240-001-01-8, 3-CHLORO-N-(3,4-DIMETHOXYBENZYL)-N-(1,1-DIOXIDOTETRAHYDRO-3-THIOPHENYL)BENZAMIDE
| Molecular Formula | C20H22ClNO5S |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 3.1867 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 423.09073 |
| Heavy Atoms | 28 |
| Complexity | 976.3114 |
Chemical Identifiers
| CAS Number | 620557-91-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=CC(=CC=C3)Cl)OC |
Product Overview
3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide (CAS 620557-91-7), with molecular formula C20H22ClNO5S and molecular weight 423.09 g/mol. IUPAC: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide.
Chemical Property Profile of 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
Property Insights of 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide
The XLogP value of 3.1867 indicates that 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide. Following Lipinski's Rule of Five, 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide 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 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The CAS number of 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 620557-91-7.
What is the molecular formula of 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular formula of 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is C20H22ClNO5S.
What is the molecular weight of 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
The molecular weight of 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide is 423.09 g/mol.
Where can I buy 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
You can request a quote for 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(3,4-dimethoxybenzyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.