![N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide structure](/static/products/1024/1024365-37-4.webp)
N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
TL;DR: N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 1024365-37-4) is a chemical compound with molecular formula C23H26N2O6S2 and molecular weight 490.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Also Known As: N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide, N-(3-((1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide, N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
| Molecular Formula | C23H26N2O6S2 |
|---|---|
| Molecular Weight | 490.12 g/mol |
| LogP | 2.5683 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.12323 |
| Heavy Atoms | 33 |
| Complexity | 1205.5289 |
Chemical Identifiers
| CAS Number | 1024365-37-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)NC3CCS(=O)(=O)C3)NC(=O)C4COC5=CC=CC=C5O4 |
Product Overview
N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CAS 1024365-37-4), with molecular formula C23H26N2O6S2 and molecular weight 490.12 g/mol. IUPAC: N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
Chemical Property Profile of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Property Insights of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
The XLogP value of 2.5683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide. Following Lipinski's Rule of Five, N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide has 2 hydrogen bond donor(s) and 7 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-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The CAS number of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 1024365-37-4.
What is the molecular formula of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular formula of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide is C23H26N2O6S2.
What is the molecular weight of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The molecular weight of N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide is 490.12 g/mol.
Where can I buy N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
You can request a quote for N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.