![N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide structure](/static/products/3918/391867-83-7.webp)
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
TL;DR: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CAS 391867-83-7) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
Also Known As: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide, F0466-0060, N-{3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}-3-(2,5-dioxopyrrolidin-1-yl)benzamide
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 3.79438 |
| Topological Polar Surface Area | 90.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1002.38855 |
Chemical Identifiers
| CAS Number | 391867-83-7 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)N4C(=O)CCC4=O |
Product Overview
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CAS 391867-83-7), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
Chemical Property Profile of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
Property Insights of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
The XLogP value of 3.79438 indicates that N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide. Following Lipinski's Rule of Five, N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide 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-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The CAS number of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is 391867-83-7.
What is the molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The molecular formula of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is C21H19N3O3S.
What is the molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The molecular weight of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is 393.11 g/mol.
Where can I buy N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
You can request a quote for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)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-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.