BAS 00786479
TL;DR: BAS 00786479 (CAS 5674-70-4) is a chemical compound with molecular formula C23H17ClFN3O2S3 and molecular weight 517.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
Also Known As: BAS 00786479, BIM-0005704.P001, N-[5-(4-chlorobenzyl)-1,3-thiazol-2-yl]-3-[5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanamide, N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide, N-{5-[(4-CHLOROPHENYL)METHYL]-1,3-THIAZOL-2-YL}-3-[(5Z)-5-[(4-FLUOROPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDE
| Molecular Formula | C23H17ClFN3O2S3 |
|---|---|
| Molecular Weight | 517.02 g/mol |
| LogP | 5.7564 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 517.01556 |
| Heavy Atoms | 33 |
| Complexity | 1226.5084 |
Chemical Identifiers
| CAS Number | 5674-70-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CN=C(S2)NC(=O)CCN3C(=O)/C(=C/C4=CC=C(C=C4)F)/SC3=S)Cl |
Product Overview
BAS 00786479 (CAS 5674-70-4), with molecular formula C23H17ClFN3O2S3 and molecular weight 517.02 g/mol. IUPAC: N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide.
Chemical Property Profile of BAS 00786479
Property Insights of BAS 00786479
The XLogP value of 5.7564 indicates that BAS 00786479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00786479. Following Lipinski's Rule of Five, BAS 00786479 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00786479?
The CAS number of BAS 00786479 is 5674-70-4.
What is the molecular formula of BAS 00786479?
The molecular formula of BAS 00786479 is C23H17ClFN3O2S3.
What is the molecular weight of BAS 00786479?
The molecular weight of BAS 00786479 is 517.02 g/mol.
Where can I buy BAS 00786479?
You can request a quote for BAS 00786479 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00786479?
Yes, KEHONG BIO provides custom synthesis services for BAS 00786479 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.