![methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate structure](/static/products/6649/664978-11-4.webp)
methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
TL;DR: methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 664978-11-4) is a chemical compound with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, (E)-methyl 2-(3-(5-nitrofuran-2-yl)acrylamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[(2E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, METHYL 2-{[(E)-3-(5-NITRO-2-FURYL)-2-PROPENOYL]AMINO}-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE
| Molecular Formula | C16H14N2O6S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 3.1765 |
| Topological Polar Surface Area | 111.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.05725 |
| Heavy Atoms | 25 |
| Complexity | 879.31714 |
Chemical Identifiers
| CAS Number | 664978-11-4 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CAS 664978-11-4), with molecular formula C16H14N2O6S and molecular weight 362.06 g/mol. IUPAC: methyl 2-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Property Insights of methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
The XLogP value of 3.1765 indicates that methyl 2-[(3-{5-nitro-2-furyl}acryloyl)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 111.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate 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 methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The CAS number of methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 664978-11-4.
What is the molecular formula of methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular formula of methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is C16H14N2O6S.
What is the molecular weight of methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The molecular weight of methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is 362.06 g/mol.
Where can I buy methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
You can request a quote for methyl 2-[(3-{5-nitro-2-furyl}acryloyl)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-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(3-{5-nitro-2-furyl}acryloyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.