![dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate structure](/static/products/3028/302802-72-8.webp)
dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
TL;DR: dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate (CAS 302802-72-8) is a chemical compound with molecular formula C19H18BrNO6S and molecular weight 467.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Also Known As: dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, AF-399/13428017, dimethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate, 3,4-DIMETHYL 2-[2-(4-BROMOPHENOXY)ACETAMIDO]-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3,4-DICARBOXYLATE, dimethyl 2-(2-(4-bromophenoxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
| Molecular Formula | C19H18BrNO6S |
|---|---|
| Molecular Weight | 467.00 g/mol |
| LogP | 3.5175 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.0038 |
| Heavy Atoms | 28 |
| Complexity | 907.8928 |
Chemical Identifiers
| CAS Number | 302802-72-8 |
|---|---|
| SMILES | COC(=O)C1CCC2=C1C(=C(S2)NC(=O)COC3=CC=C(C=C3)Br)C(=O)OC |
Product Overview
dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate (CAS 302802-72-8), with molecular formula C19H18BrNO6S and molecular weight 467.00 g/mol. IUPAC: dimethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate.
Chemical Property Profile of dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Property Insights of dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
The XLogP value of 3.5175 indicates that dimethyl 2-{[(4-bromophenoxy)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-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 2-{[(4-bromophenoxy)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-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The CAS number of dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is 302802-72-8.
What is the molecular formula of dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The molecular formula of dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is C19H18BrNO6S.
What is the molecular weight of dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
The molecular weight of dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate is 467.00 g/mol.
Where can I buy dimethyl 2-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
You can request a quote for dimethyl 2-{[(4-bromophenoxy)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-{[(4-bromophenoxy)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-{[(4-bromophenoxy)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.