ChemDiv1_010839
TL;DR: ChemDiv1_010839 (CAS 339156-90-0) is a chemical compound with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoate
Also Known As: ChemDiv1_010839, A0185/0008216, ethyl 2-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}propanoate, ethyl 2-((3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)propanoate, ethyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoate
| Molecular Formula | C19H20N2O2S2 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 4.60428 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.09662 |
| Heavy Atoms | 25 |
| Complexity | 809.81696 |
Chemical Identifiers
| CAS Number | 339156-90-0 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3 |
Product Overview
ChemDiv1_010839 (CAS 339156-90-0), with molecular formula C19H20N2O2S2 and molecular weight 372.10 g/mol. IUPAC: ethyl 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanoate.
Chemical Property Profile of ChemDiv1_010839
Property Insights of ChemDiv1_010839
The XLogP value of 4.60428 indicates that ChemDiv1_010839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010839. Following Lipinski's Rule of Five, ChemDiv1_010839 has 0 hydrogen bond donor(s) and 6 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_010839?
The CAS number of ChemDiv1_010839 is 339156-90-0.
What is the molecular formula of ChemDiv1_010839?
The molecular formula of ChemDiv1_010839 is C19H20N2O2S2.
What is the molecular weight of ChemDiv1_010839?
The molecular weight of ChemDiv1_010839 is 372.10 g/mol.
Where can I buy ChemDiv1_010839?
You can request a quote for ChemDiv1_010839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010839?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.