A3069/0129741
TL;DR: A3069/0129741 (CAS 431065-99-5) is a chemical compound with molecular formula C23H16ClN3O6S and molecular weight 497.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
Also Known As: A3069/0129741, 2-[(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide, 2-(5-{[5-(4-chloro-3-nitrophenyl)(2-furyl)]methylene}-2,4-dioxo(1,3-thiazolidi n-3-yl))-N-(3-methylphenyl)acetamide, 2-[(5E)-5-{[5-(4-CHLORO-3-NITROPHENYL)-2-FURYL]METHYLENE}-2,4-DIOXO-1,3-THIAZOLIDIN-3-YL]-N-(3-METHYLPHENYL)ACETAMIDE, 2-[(5E)-5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
| Molecular Formula | C23H16ClN3O6S |
|---|---|
| Molecular Weight | 497.04 g/mol |
| LogP | 5.49162 |
| Topological Polar Surface Area | 122.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.04483 |
| Heavy Atoms | 34 |
| Complexity | 1366.2402 |
Chemical Identifiers
| CAS Number | 431065-99-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])/SC2=O |
Product Overview
A3069/0129741 (CAS 431065-99-5), with molecular formula C23H16ClN3O6S and molecular weight 497.04 g/mol. IUPAC: 2-[(5E)-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide.
Chemical Property Profile of A3069/0129741
Property Insights of A3069/0129741
The XLogP value of 5.49162 indicates that A3069/0129741 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.76 Ų falls within the moderate polarity range, balancing permeability and solubility for A3069/0129741. Following Lipinski's Rule of Five, A3069/0129741 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3069/0129741?
The CAS number of A3069/0129741 is 431065-99-5.
What is the molecular formula of A3069/0129741?
The molecular formula of A3069/0129741 is C23H16ClN3O6S.
What is the molecular weight of A3069/0129741?
The molecular weight of A3069/0129741 is 497.04 g/mol.
Where can I buy A3069/0129741?
You can request a quote for A3069/0129741 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3069/0129741?
Yes, KEHONG BIO provides custom synthesis services for A3069/0129741 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.