![dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate structure](/static/products/3693/369398-26-5.webp)
dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
TL;DR: dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate (CAS 369398-26-5) is a chemical compound with molecular formula C22H25NO6S and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[4-(4-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-(4-(p-tolyloxy)butanamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[4-(4-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, methyl 3-(methoxycarbonyl)-2-[4-(4-methylphenoxy)butanoylamino]-4,5,6-trihydro cyclopenta[3,2-b]thiophene-4-carboxylate
| Molecular Formula | C22H25NO6S |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 3.84362 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.14026 |
| Heavy Atoms | 30 |
| Complexity | 933.84955 |
Chemical Identifiers
| CAS Number | 369398-26-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC |
Product Overview
dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate (CAS 369398-26-5), with molecular formula C22H25NO6S and molecular weight 431.14 g/mol. IUPAC: dimethyl 2-[4-(4-methylphenoxy)butanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Property Insights of dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
The XLogP value of 3.84362 indicates that dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate has 1 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 dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The CAS number of dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is 369398-26-5.
What is the molecular formula of dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The molecular formula of dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is C22H25NO6S.
What is the molecular weight of dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The molecular weight of dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is 431.14 g/mol.
Where can I buy dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
You can request a quote for dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-{[4-(4-methylphenoxy)butanoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.