![4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester structure](/static/products/956/956758-71-7.png)
4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester
TL;DR: 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester (CAS 956758-71-7) is a chemical compound with molecular formula C24H27N3O5S and molecular weight 469.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester, methyl 2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C24H27N3O5S |
|---|---|
| Molecular Weight | 469.17 g/mol |
| LogP | 3.51772 |
| Topological Polar Surface Area | 104.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.16714 |
| Heavy Atoms | 33 |
| Complexity | 1123.8646 |
Chemical Identifiers
| CAS Number | 956758-71-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)OC)C |
Product Overview
4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester (CAS 956758-71-7), with molecular formula C24H27N3O5S and molecular weight 469.17 g/mol. IUPAC: methyl 2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester
Property Insights of 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester
The XLogP value of 3.51772 indicates that 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester. Following Lipinski's Rule of Five, 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester has 2 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 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester?
The CAS number of 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester is 956758-71-7.
What is the molecular formula of 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester?
The molecular formula of 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester is C24H27N3O5S.
What is the molecular weight of 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester?
The molecular weight of 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester is 469.17 g/mol.
Where can I buy 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester?
You can request a quote for 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4H-Cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]acetyl]amino]-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.