![dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate structure](/static/products/3031/303116-95-2.webp)
dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
TL;DR: dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate (CAS 303116-95-2) is a chemical compound with molecular formula C21H23NO6S and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-[2-(2,3-DIMETHYLPHENOXY)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE, dimethyl 2-(2-(2,3-dimethylphenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, dimethyl 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, methyl 2-[2-(2,3-dimethylphenoxy)acetylamino]-3-(methoxycarbonyl)-4,5,6-trihyd rocyclopenta[3,2-b]thiophene-4-carboxylate
| Molecular Formula | C21H23NO6S |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.37184 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.1246 |
| Heavy Atoms | 29 |
| Complexity | 964.32117 |
Chemical Identifiers
| CAS Number | 303116-95-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OCC(=O)NC2=C(C3=C(S2)CCC3C(=O)OC)C(=O)OC)C |
Product Overview
dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate (CAS 303116-95-2), with molecular formula C21H23NO6S and molecular weight 417.12 g/mol. IUPAC: dimethyl 2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Property Insights of dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
The XLogP value of 3.37184 indicates that dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]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-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]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-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The CAS number of dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is 303116-95-2.
What is the molecular formula of dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The molecular formula of dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is C21H23NO6S.
What is the molecular weight of dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The molecular weight of dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is 417.12 g/mol.
Where can I buy dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
You can request a quote for dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]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-{[(2,3-dimethylphenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-{[(2,3-dimethylphenoxy)acetyl]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.