![Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate structure](/static/products/5246/524681-84-3.webp)
Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
TL;DR: Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate (CAS 524681-84-3) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-benzyl-2-(furan-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate, methyl 6-benzyl-2-(furan-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate, Methyl 6-benzyl-2-(furan-2-carboxamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.9383 |
| Topological Polar Surface Area | 71.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 979.5166 |
Chemical Identifiers
| CAS Number | 524681-84-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=CO4 |
Product Overview
Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate (CAS 524681-84-3), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: methyl 6-benzyl-2-(furan-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
Property Insights of Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
The XLogP value of 3.9383 indicates that Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate. Following Lipinski's Rule of Five, Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate has 1 hydrogen bond donor(s) and 6 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 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
The CAS number of Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate is 524681-84-3.
What is the molecular formula of Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
The molecular formula of Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate is C21H20N2O4S.
What is the molecular weight of Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
The molecular weight of Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate is 396.11 g/mol.
Where can I buy Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
You can request a quote for Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-benzyl-8-(furan-2-carbonylamino)-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.