ChemDiv1_028562
TL;DR: ChemDiv1_028562 (CAS 384356-91-6) is a chemical compound with molecular formula C26H23N3O4S and molecular weight 473.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-benzylacetamide
Also Known As: ChemDiv1_028562, 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-benzylacetamide, 2-((4-(benzo[d][1,3]dioxol-5-yl)-3-cyano-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-benzylacetamide, 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-benzylacetamide, 2-{[4-(1,3-benzodioxol-5-yl)-3-cyano-5-hydroxy-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-N-benzylacetamide
| Molecular Formula | C26H23N3O4S |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 3.89398 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.14093 |
| Heavy Atoms | 34 |
| Complexity | 1246.4373 |
Chemical Identifiers
| CAS Number | 384356-91-6 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)NCC3=CC=CC=C3)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1 |
Product Overview
ChemDiv1_028562 (CAS 384356-91-6), with molecular formula C26H23N3O4S and molecular weight 473.14 g/mol. IUPAC: 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-benzylacetamide.
Chemical Property Profile of ChemDiv1_028562
Property Insights of ChemDiv1_028562
The XLogP value of 3.89398 indicates that ChemDiv1_028562 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_028562. Following Lipinski's Rule of Five, ChemDiv1_028562 has 2 hydrogen bond donor(s) and 7 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_028562?
The CAS number of ChemDiv1_028562 is 384356-91-6.
What is the molecular formula of ChemDiv1_028562?
The molecular formula of ChemDiv1_028562 is C26H23N3O4S.
What is the molecular weight of ChemDiv1_028562?
The molecular weight of ChemDiv1_028562 is 473.14 g/mol.
Where can I buy ChemDiv1_028562?
You can request a quote for ChemDiv1_028562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028562?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.