ChemDiv1_005880
TL;DR: ChemDiv1_005880 (CAS 307541-27-1) is a chemical compound with molecular formula C21H19N3O7S2 and molecular weight 489.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-nitrophenyl)-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
Also Known As: ChemDiv1_005880, N-(2-nitrophenyl)-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide, F0822-0175, (E)-N-(2-nitrophenyl)-2-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)acetamide, N-(2-nitrophenyl)-2-{4-oxo-2-thioxo-5-[(3,4,5-trimethoxyphenyl)methylene](1,3- thiazolidin-3-yl)}acetamide
| Molecular Formula | C21H19N3O7S2 |
|---|---|
| Molecular Weight | 489.07 g/mol |
| LogP | 3.4605 |
| Topological Polar Surface Area | 120.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 489.06644 |
| Heavy Atoms | 33 |
| Complexity | 1141.2925 |
Chemical Identifiers
| CAS Number | 307541-27-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
ChemDiv1_005880 (CAS 307541-27-1), with molecular formula C21H19N3O7S2 and molecular weight 489.07 g/mol. IUPAC: N-(2-nitrophenyl)-2-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide.
Chemical Property Profile of ChemDiv1_005880
Property Insights of ChemDiv1_005880
The XLogP value of 3.4605 indicates that ChemDiv1_005880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.24 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005880. Following Lipinski's Rule of Five, ChemDiv1_005880 has 1 hydrogen bond donor(s) and 9 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_005880?
The CAS number of ChemDiv1_005880 is 307541-27-1.
What is the molecular formula of ChemDiv1_005880?
The molecular formula of ChemDiv1_005880 is C21H19N3O7S2.
What is the molecular weight of ChemDiv1_005880?
The molecular weight of ChemDiv1_005880 is 489.07 g/mol.
Where can I buy ChemDiv1_005880?
You can request a quote for ChemDiv1_005880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005880?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.