![ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate structure](/static/products/3099/309945-57-1.webp)
ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 309945-57-1) is a chemical compound with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(pyridine-3-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-(3-pyridylcarbonylamino)-4,5,6,7,8-pentahydrocyclohepta[2,1-b]thiophen e-3-carboxylate, ethyl 2-(pyridine-3-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(3-pyridinylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, ethyl 2-[(pyridin-3-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C18H20N2O3S |
|---|---|
| Molecular Weight | 344.12 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 344.11948 |
| Heavy Atoms | 24 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 309945-57-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CN=CC=C3 |
| InChIKey | WLJCDMBBFRRGAH-UHFFFAOYSA-N |
Product Overview
ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 309945-57-1), with molecular formula C18H20N2O3S and molecular weight 344.12 g/mol. IUPAC: ethyl 2-(pyridine-3-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
The XLogP value of 4.2 indicates that ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 309945-57-1.
What is the molecular formula of ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is C18H20N2O3S.
What is the molecular weight of ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate is 344.12 g/mol.
Where can I buy ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[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 ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(nicotinamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.