1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime
TL;DR: 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime (CAS 299455-20-2) is a chemical compound with molecular formula C17H21NO2S and molecular weight 303.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-thiophen-2-ylethylideneamino] adamantane-1-carboxylate
Also Known As: 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime, [(E)-1-thiophen-2-ylethylideneamino] adamantane-1-carboxylate, (1E)-2-(2-thienyl)-1-azaprop-1-enyl adamantanecarboxylate, (1E)-1-(2-THIENYL)ETHANONE O-(1-ADAMANTYLCARBONYL)OXIME, ({[(1E)-1-(thiophen-2-yl)ethylidene]amino}oxy)(tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
| Molecular Formula | C17H21NO2S |
|---|---|
| Molecular Weight | 303.13 g/mol |
| LogP | 4.2317 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.1293 |
| Heavy Atoms | 21 |
| Complexity | 540.3362 |
Chemical Identifiers
| CAS Number | 299455-20-2 |
|---|---|
| SMILES | C/C(=N\OC(=O)C12CC3CC(C1)CC(C3)C2)/C4=CC=CS4 |
Product Overview
1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime (CAS 299455-20-2), with molecular formula C17H21NO2S and molecular weight 303.13 g/mol. IUPAC: [(E)-1-thiophen-2-ylethylideneamino] adamantane-1-carboxylate.
Chemical Property Profile of 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime
Property Insights of 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime
The XLogP value of 4.2317 indicates that 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime has 0 hydrogen bond donor(s) and 4 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 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime?
The CAS number of 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime is 299455-20-2.
What is the molecular formula of 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime?
The molecular formula of 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime is C17H21NO2S.
What is the molecular weight of 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime?
The molecular weight of 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime is 303.13 g/mol.
Where can I buy 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime?
You can request a quote for 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-thienyl)ethanone O-(1-adamantylcarbonyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.