![2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate structure](/static/products/312/312939-11-0.png)
2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate
TL;DR: 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate (CAS 312939-11-0) is a chemical compound with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-piperidin-1-yliminomethyl]-1-benzothiophen-3-yl] benzoate
Also Known As: 2-[(1-piperidinylimino)methyl]-1-benzothien-3-yl benzoate, AE-848/36048030, (E)-2-((piperidin-1-ylimino)methyl)benzo[b]thiophen-3-yl benzoate, [2-[(E)-piperidin-1-yliminomethyl]-1-benzothiophen-3-yl] benzoate, [2-[(Z)-piperidin-1-yliminomethyl]-1-benzothiophen-3-yl] benzoate
| Molecular Formula | C21H20N2O2S |
|---|---|
| Molecular Weight | 364.12 g/mol |
| LogP | 4.9403 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.12454 |
| Heavy Atoms | 26 |
| Complexity | 927.5939 |
Chemical Identifiers
| CAS Number | 312939-11-0 |
|---|---|
| SMILES | C1CCN(CC1)/N=C/C2=C(C3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4 |
Product Overview
2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate (CAS 312939-11-0), with molecular formula C21H20N2O2S and molecular weight 364.12 g/mol. IUPAC: [2-[(E)-piperidin-1-yliminomethyl]-1-benzothiophen-3-yl] benzoate.
Chemical Property Profile of 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate
Property Insights of 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate
The XLogP value of 4.9403 indicates that 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate has 0 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 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate?
The CAS number of 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate is 312939-11-0.
What is the molecular formula of 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate?
The molecular formula of 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate is C21H20N2O2S.
What is the molecular weight of 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate?
The molecular weight of 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate is 364.12 g/mol.
Where can I buy 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate?
You can request a quote for 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Piperidinylimino)methyl]-1-benzothien-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.