ChemDiv1_005483
TL;DR: ChemDiv1_005483 (CAS 361995-62-2) is a chemical compound with molecular formula C21H19BrN2O3S and molecular weight 458.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[2-[4-(dimethylamino)phenyl]-1,3-thiazolidine-3-carbonyl]chromen-2-one
Also Known As: ChemDiv1_005483, BAS 01543148, AB00101992-01, 6-bromo-3-{2-[4-(dimethylamino)phenyl]-1,3-thiazolidine-3-carbonyl}-2H-chromen-2-one, 6-Bromo-3-[2-(4-dimethylamino-phenyl)-thiazolidine-3-carbonyl]-chromen-2-one
| Molecular Formula | C21H19BrN2O3S |
|---|---|
| Molecular Weight | 458.03 g/mol |
| LogP | 4.5093 |
| Topological Polar Surface Area | 53.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.02997 |
| Heavy Atoms | 28 |
| Complexity | 1094.9962 |
Chemical Identifiers
| CAS Number | 361995-62-2 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2N(CCS2)C(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
ChemDiv1_005483 (CAS 361995-62-2), with molecular formula C21H19BrN2O3S and molecular weight 458.03 g/mol. IUPAC: 6-bromo-3-[2-[4-(dimethylamino)phenyl]-1,3-thiazolidine-3-carbonyl]chromen-2-one.
Chemical Property Profile of ChemDiv1_005483
Property Insights of ChemDiv1_005483
The XLogP value of 4.5093 indicates that ChemDiv1_005483 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.76 Ų, ChemDiv1_005483 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_005483 has 0 hydrogen bond donor(s) and 5 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_005483?
The CAS number of ChemDiv1_005483 is 361995-62-2.
What is the molecular formula of ChemDiv1_005483?
The molecular formula of ChemDiv1_005483 is C21H19BrN2O3S.
What is the molecular weight of ChemDiv1_005483?
The molecular weight of ChemDiv1_005483 is 458.03 g/mol.
Where can I buy ChemDiv1_005483?
You can request a quote for ChemDiv1_005483 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005483?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005483 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.