![methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/896/896821-92-4.png)
methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 896821-92-4) is a chemical compound with molecular formula C19H19NO6S and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H19NO6S |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 3.3217 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.09332 |
| Heavy Atoms | 27 |
| Complexity | 934.7665 |
Chemical Identifiers
| CAS Number | 896821-92-4 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NC3=C(C4=C(S3)CCC4)C(=O)OC)OC |
Product Overview
methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 896821-92-4), with molecular formula C19H19NO6S and molecular weight 389.09 g/mol. IUPAC: methyl 2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 3.3217 indicates that methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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 methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 896821-92-4.
What is the molecular formula of methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C19H19NO6S.
What is the molecular weight of methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 389.09 g/mol.
Where can I buy methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.