5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile
TL;DR: 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile (CAS 340809-19-0) is a chemical compound with molecular formula C22H22ClN3OS and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(adamantane-1-carbonyl)-4-amino-2-(3-chloroanilino)thiophene-3-carbonitrile
Also Known As: 5-(1-adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile, AM-807/12426162, 5-(adamantane-1-carbonyl)-4-amino-2-(3-chloroanilino)thiophene-3-carbonitrile, 4-amino-2-[(3-chlorophenyl)amino]-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)thiophene-3-carbonitrile, 5-((3r,5r,7r)-adamantane-1-carbonyl)-4-amino-2-((3-chlorophenyl)amino)thiophene-3-carbonitrile
| Molecular Formula | C22H22ClN3OS |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 5.99808 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.11722 |
| Heavy Atoms | 28 |
| Complexity | 970.412 |
Chemical Identifiers
| CAS Number | 340809-19-0 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)C4=C(C(=C(S4)NC5=CC(=CC=C5)Cl)C#N)N |
Product Overview
5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile (CAS 340809-19-0), with molecular formula C22H22ClN3OS and molecular weight 411.12 g/mol. IUPAC: 5-(adamantane-1-carbonyl)-4-amino-2-(3-chloroanilino)thiophene-3-carbonitrile.
Chemical Property Profile of 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile
Property Insights of 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile
The XLogP value of 5.99808 indicates that 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile?
The CAS number of 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile is 340809-19-0.
What is the molecular formula of 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile?
The molecular formula of 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile is C22H22ClN3OS.
What is the molecular weight of 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile?
The molecular weight of 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile is 411.12 g/mol.
Where can I buy 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile?
You can request a quote for 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-(1-Adamantylcarbonyl)-4-amino-2-(3-chloroanilino)-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.