RefChem:448338
TL;DR: RefChem:448338 (CAS 618075-16-4) is a chemical compound with molecular formula C22H16BrN3O3S2 and molecular weight 512.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-bromophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Also Known As: 2-[(3Z)-3-(3-ALLYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL]-N-(3-BROMOPHENYL)ACETAMIDE, 2-((3Z)-3-(3-ALLYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)-2-OXO-2,3-DIHYDRO-1H-INDOL-1-YL)-N-(3-BROMOPHENYL)ACETAMIDE, 645-339-0, N-(3-bromophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide, N-(3-bromophenyl)-2-{(3Z)-2-oxo-3-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-2,3-dihydro-1H-indol-1-yl}acetamide
| Molecular Formula | C22H16BrN3O3S2 |
|---|---|
| Molecular Weight | 512.98 g/mol |
| LogP | 4.1918 |
| Topological Polar Surface Area | 69.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.9816 |
| Heavy Atoms | 31 |
| Complexity | 1178.0961 |
Chemical Identifiers
| CAS Number | 618075-16-4 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S |
Product Overview
RefChem:448338 (CAS 618075-16-4), with molecular formula C22H16BrN3O3S2 and molecular weight 512.98 g/mol. IUPAC: N-(3-bromophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide.
Chemical Property Profile of RefChem:448338
Property Insights of RefChem:448338
The XLogP value of 4.1918 indicates that RefChem:448338 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:448338. Following Lipinski's Rule of Five, RefChem:448338 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:448338?
The CAS number of RefChem:448338 is 618075-16-4.
What is the molecular formula of RefChem:448338?
The molecular formula of RefChem:448338 is C22H16BrN3O3S2.
What is the molecular weight of RefChem:448338?
The molecular weight of RefChem:448338 is 512.98 g/mol.
Where can I buy RefChem:448338?
You can request a quote for RefChem:448338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:448338?
Yes, KEHONG BIO provides custom synthesis services for RefChem:448338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.