N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide
TL;DR: N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide (CAS 620590-29-6) is a chemical compound with molecular formula C13H17NO5S and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide
Also Known As: N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide, BAS 07326452, N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,4-dimethoxybenzamide, F1458-0038, (3,4-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)carboxamide
| Molecular Formula | C13H17NO5S |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 0.6207 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.08273 |
| Heavy Atoms | 20 |
| Complexity | 611.18756 |
Chemical Identifiers
| CAS Number | 620590-29-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)NC2CCS(=O)(=O)C2)OC |
Product Overview
N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide (CAS 620590-29-6), with molecular formula C13H17NO5S and molecular weight 299.08 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide
Property Insights of N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide
The XLogP value of 0.6207 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide has 1 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-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide?
The CAS number of N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide is 620590-29-6.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide is C13H17NO5S.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide is 299.08 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide 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-dioxothiolan-3-yl)-3,4-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-3,4-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.