ChemDiv1_028831
TL;DR: ChemDiv1_028831 (CAS 369396-16-7) is a chemical compound with molecular formula C28H29N3O4S and molecular weight 503.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: ChemDiv1_028831, 2-{[3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide, 2-((3-cyano-4-(2-ethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide, 2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide, 2-{[3-cyano-4-(2-ethoxyphenyl)-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C28H29N3O4S |
|---|---|
| Molecular Weight | 503.19 g/mol |
| LogP | 5.28498 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 503.18787 |
| Heavy Atoms | 36 |
| Complexity | 1244.1863 |
Chemical Identifiers
| CAS Number | 369396-16-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4OCC)C#N |
Product Overview
ChemDiv1_028831 (CAS 369396-16-7), with molecular formula C28H29N3O4S and molecular weight 503.19 g/mol. IUPAC: 2-[[3-cyano-4-(2-ethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_028831
Property Insights of ChemDiv1_028831
The XLogP value of 5.28498 indicates that ChemDiv1_028831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028831. Following Lipinski's Rule of Five, ChemDiv1_028831 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028831?
The CAS number of ChemDiv1_028831 is 369396-16-7.
What is the molecular formula of ChemDiv1_028831?
The molecular formula of ChemDiv1_028831 is C28H29N3O4S.
What is the molecular weight of ChemDiv1_028831?
The molecular weight of ChemDiv1_028831 is 503.19 g/mol.
Where can I buy ChemDiv1_028831?
You can request a quote for ChemDiv1_028831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028831?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.