2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
TL;DR: 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (CAS 445036-06-6) is a chemical compound with molecular formula C22H28N2OS and molecular weight 368.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Also Known As: 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide, 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)acetamide, N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)acetamide
| Molecular Formula | C22H28N2OS |
|---|---|
| Molecular Weight | 368.19 g/mol |
| LogP | 5.28958 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.19223 |
| Heavy Atoms | 26 |
| Complexity | 751.5141 |
Chemical Identifiers
| CAS Number | 445036-06-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CC34CC5CC(C3)CC(C5)C4 |
Product Overview
2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (CAS 445036-06-6), with molecular formula C22H28N2OS and molecular weight 368.19 g/mol. IUPAC: 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
Chemical Property Profile of 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Property Insights of 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
The XLogP value of 5.28958 indicates that 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The CAS number of 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is 445036-06-6.
What is the molecular formula of 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The molecular formula of 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is C22H28N2OS.
What is the molecular weight of 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The molecular weight of 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is 368.19 g/mol.
Where can I buy 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
You can request a quote for 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-adamantyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.