ChemDiv1_017829
TL;DR: ChemDiv1_017829 (CAS 339582-86-4) is a chemical compound with molecular formula C20H23N3OS2 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_017829, AB01291198-01, A0533/0024612, N-(tert-butyl)-2-[(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetamide, N-(tert-butyl)-2-((3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)acetamide
| Molecular Formula | C20H23N3OS2 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 4.56738 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.12827 |
| Heavy Atoms | 26 |
| Complexity | 845.4169 |
Chemical Identifiers
| CAS Number | 339582-86-4 |
|---|---|
| SMILES | CC(C)(C)NC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3 |
Product Overview
ChemDiv1_017829 (CAS 339582-86-4), with molecular formula C20H23N3OS2 and molecular weight 385.13 g/mol. IUPAC: N-tert-butyl-2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_017829
Property Insights of ChemDiv1_017829
The XLogP value of 4.56738 indicates that ChemDiv1_017829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_017829. Following Lipinski's Rule of Five, ChemDiv1_017829 has 1 hydrogen bond donor(s) and 5 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 ChemDiv1_017829?
The CAS number of ChemDiv1_017829 is 339582-86-4.
What is the molecular formula of ChemDiv1_017829?
The molecular formula of ChemDiv1_017829 is C20H23N3OS2.
What is the molecular weight of ChemDiv1_017829?
The molecular weight of ChemDiv1_017829 is 385.13 g/mol.
Where can I buy ChemDiv1_017829?
You can request a quote for ChemDiv1_017829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_017829?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_017829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.