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N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
TL;DR: N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide (CAS 6602-78-4) is a chemical compound with molecular formula C20H27NO2S and molecular weight 345.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
Also Known As: N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide, N-[1-(1-ADAMANTYL)ETHYL]-4-OXO-4-THIOPHEN-2-YL-BUTANAMIDE, T0513-1756, N-[1-(ADAMANTAN-1-YL)ETHYL]-4-OXO-4-(THIOPHEN-2-YL)BUTANAMIDE, 4-Oxo-4-(thiophen-2-yl)-N-[1-(tricyclo[3.3.1.1~3,7~]decan-1-yl)ethyl]butanamide
| Molecular Formula | C20H27NO2S |
|---|---|
| Molecular Weight | 345.18 g/mol |
| LogP | 4.4321 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.17624 |
| Heavy Atoms | 24 |
| Complexity | 586.30896 |
Chemical Identifiers
| CAS Number | 6602-78-4 |
|---|---|
| SMILES | CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CCC(=O)C4=CC=CS4 |
Product Overview
N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide (CAS 6602-78-4), with molecular formula C20H27NO2S and molecular weight 345.18 g/mol. IUPAC: N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide.
Chemical Property Profile of N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
Property Insights of N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
The XLogP value of 4.4321 indicates that N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide has 1 hydrogen bond donor(s) and 3 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 N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The CAS number of N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is 6602-78-4.
What is the molecular formula of N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The molecular formula of N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is C20H27NO2S.
What is the molecular weight of N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
The molecular weight of N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide is 345.18 g/mol.
Where can I buy N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
You can request a quote for N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(1-adamantyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.