AE-848/37018165
TL;DR: AE-848/37018165 (CAS 213203-92-0) is a chemical compound with molecular formula C16H21N3OS and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide
Also Known As: AE-848/37018165, 2-((3-cyano-4-isobutyl-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide, 2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide, 2-[(3-cyano-4-isobutyl-5,6,7,8-tetrahydro-2-quinolinyl)sulfanyl]acetamide
| Molecular Formula | C16H21N3OS |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 2.60798 |
| Topological Polar Surface Area | 79.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.14053 |
| Heavy Atoms | 21 |
| Complexity | 590.1654 |
Chemical Identifiers
| CAS Number | 213203-92-0 |
|---|---|
| SMILES | CC(C)CC1=C(C(=NC2=C1CCCC2)SCC(=O)N)C#N |
Product Overview
AE-848/37018165 (CAS 213203-92-0), with molecular formula C16H21N3OS and molecular weight 303.14 g/mol. IUPAC: 2-[[3-cyano-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AE-848/37018165
Property Insights of AE-848/37018165
The XLogP value of 2.60798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/37018165. The TPSA of 79.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/37018165. Following Lipinski's Rule of Five, AE-848/37018165 has 1 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 AE-848/37018165?
The CAS number of AE-848/37018165 is 213203-92-0.
What is the molecular formula of AE-848/37018165?
The molecular formula of AE-848/37018165 is C16H21N3OS.
What is the molecular weight of AE-848/37018165?
The molecular weight of AE-848/37018165 is 303.14 g/mol.
Where can I buy AE-848/37018165?
You can request a quote for AE-848/37018165 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/37018165?
Yes, KEHONG BIO provides custom synthesis services for AE-848/37018165 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.