ChemDiv3_001520
TL;DR: ChemDiv3_001520 (CAS 307540-87-0) is a chemical compound with molecular formula C21H17BrN2O2S2 and molecular weight 471.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-bromophenyl)methylidene]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: ChemDiv3_001520, IDI1_020486, BRD-K05815052-001-01-6, (5Z)-5-[(3-bromophenyl)methylidene]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-(3-bromobenzylidene)-3-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C21H17BrN2O2S2 |
|---|---|
| Molecular Weight | 471.99 g/mol |
| LogP | 4.6297 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.9915 |
| Heavy Atoms | 28 |
| Complexity | 1005.405 |
Chemical Identifiers
| CAS Number | 307540-87-0 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CN3C(=O)/C(=C/C4=CC(=CC=C4)Br)/SC3=S |
Product Overview
ChemDiv3_001520 (CAS 307540-87-0), with molecular formula C21H17BrN2O2S2 and molecular weight 471.99 g/mol. IUPAC: (5Z)-5-[(3-bromophenyl)methylidene]-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of ChemDiv3_001520
Property Insights of ChemDiv3_001520
The XLogP value of 4.6297 indicates that ChemDiv3_001520 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, ChemDiv3_001520 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001520 has 0 hydrogen bond donor(s) and 4 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 ChemDiv3_001520?
The CAS number of ChemDiv3_001520 is 307540-87-0.
What is the molecular formula of ChemDiv3_001520?
The molecular formula of ChemDiv3_001520 is C21H17BrN2O2S2.
What is the molecular weight of ChemDiv3_001520?
The molecular weight of ChemDiv3_001520 is 471.99 g/mol.
Where can I buy ChemDiv3_001520?
You can request a quote for ChemDiv3_001520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001520?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.