![Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate structure](/static/products/3393/339347-95-4.webp)
Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
TL;DR: Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate (CAS 339347-95-4) is a chemical compound with molecular formula C25H26N2O4S and molecular weight 450.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-benzyl-2-[(4-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Also Known As: Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate, Ethyl 6-benzyl-2-(4-methoxybenzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate, ethyl 6-benzyl-2-[(4-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
| Molecular Formula | C25H26N2O4S |
|---|---|
| Molecular Weight | 450.16 g/mol |
| LogP | 4.744 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 450.16132 |
| Heavy Atoms | 32 |
| Complexity | 1093.1346 |
Chemical Identifiers
| CAS Number | 339347-95-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)OC |
Product Overview
Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate (CAS 339347-95-4), with molecular formula C25H26N2O4S and molecular weight 450.16 g/mol. IUPAC: ethyl 6-benzyl-2-[(4-methoxybenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
Property Insights of Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate
The XLogP value of 4.744 indicates that Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-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 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-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 Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
The CAS number of Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate is 339347-95-4.
What is the molecular formula of Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
The molecular formula of Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate is C25H26N2O4S.
What is the molecular weight of Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
The molecular weight of Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate is 450.16 g/mol.
Where can I buy Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
You can request a quote for Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-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 Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-7-thia-4-azabicyclo[4.3.0]nona-8,10-diene-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-benzyl-8-[(4-methoxybenzoyl)amino]-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.