N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide
TL;DR: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide (CAS 438452-72-3) is a chemical compound with molecular formula C20H24N2OS and molecular weight 340.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide
Also Known As: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide, AH-262/31954039, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide, N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-1-ADAMANTANECARBOXAMIDE, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide
| Molecular Formula | C20H24N2OS |
|---|---|
| Molecular Weight | 340.16 g/mol |
| LogP | 4.65348 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.16095 |
| Heavy Atoms | 24 |
| Complexity | 706.2712 |
Chemical Identifiers
| CAS Number | 438452-72-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C#N |
Product Overview
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide (CAS 438452-72-3), with molecular formula C20H24N2OS and molecular weight 340.16 g/mol. IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)adamantane-1-carboxamide.
Chemical Property Profile of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide
Property Insights of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide
The XLogP value of 4.65348 indicates that N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide 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-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide?
The CAS number of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide is 438452-72-3.
What is the molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide?
The molecular formula of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide is C20H24N2OS.
What is the molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide?
The molecular weight of N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide is 340.16 g/mol.
Where can I buy N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide?
You can request a quote for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-adamantanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.