ChemDiv1_028824
TL;DR: ChemDiv1_028824 (CAS 384358-30-9) is a chemical compound with molecular formula C23H20BrN3O3S and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide
Also Known As: ChemDiv1_028824, N-(4-bromophenyl)-2-((3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetamide, N-(4-bromophenyl)-2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide, N-(4-bromophenyl)-2-{[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide, N-(4-bromophenyl)-2-{[3-cyano-5-hydroxy-4-(5-methylfuran-2-yl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetamide
| Molecular Formula | C23H20BrN3O3S |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 5.1515 |
| Topological Polar Surface Area | 95.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.0409 |
| Heavy Atoms | 31 |
| Complexity | 1141.5616 |
Chemical Identifiers
| CAS Number | 384358-30-9 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)NC4=CC=C(C=C4)Br)C#N |
Product Overview
ChemDiv1_028824 (CAS 384358-30-9), with molecular formula C23H20BrN3O3S and molecular weight 497.04 g/mol. IUPAC: N-(4-bromophenyl)-2-[[3-cyano-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of ChemDiv1_028824
Property Insights of ChemDiv1_028824
The XLogP value of 5.1515 indicates that ChemDiv1_028824 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028824. Following Lipinski's Rule of Five, ChemDiv1_028824 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028824?
The CAS number of ChemDiv1_028824 is 384358-30-9.
What is the molecular formula of ChemDiv1_028824?
The molecular formula of ChemDiv1_028824 is C23H20BrN3O3S.
What is the molecular weight of ChemDiv1_028824?
The molecular weight of ChemDiv1_028824 is 497.04 g/mol.
Where can I buy ChemDiv1_028824?
You can request a quote for ChemDiv1_028824 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028824?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028824 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.