BAS 00474098
TL;DR: BAS 00474098 (CAS 314046-06-5) is a chemical compound with molecular formula C25H17Cl2N3O3S2 and molecular weight 541.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00474098, (5E)-5-{[5-(2,4-DICHLOROPHENYL)-2-FURYL]METHYLENE}-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-5-{[5-(2,4-dichlorophenyl)furan-2-yl]methylidene}-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one, (E)-5-((5-(2,4-dichlorophenyl)furan-2-yl)methylene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxothiazolidin-4-one
| Molecular Formula | C25H17Cl2N3O3S2 |
|---|---|
| Molecular Weight | 541.01 g/mol |
| LogP | 6.45702 |
| Topological Polar Surface Area | 60.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 541.00885 |
| Heavy Atoms | 35 |
| Complexity | 1585.1715 |
Chemical Identifiers
| CAS Number | 314046-06-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C\C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)/SC3=S |
Product Overview
BAS 00474098 (CAS 314046-06-5), with molecular formula C25H17Cl2N3O3S2 and molecular weight 541.01 g/mol. IUPAC: (5E)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00474098
Property Insights of BAS 00474098
The XLogP value of 6.45702 indicates that BAS 00474098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.38 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00474098. Following Lipinski's Rule of Five, BAS 00474098 has 0 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 BAS 00474098?
The CAS number of BAS 00474098 is 314046-06-5.
What is the molecular formula of BAS 00474098?
The molecular formula of BAS 00474098 is C25H17Cl2N3O3S2.
What is the molecular weight of BAS 00474098?
The molecular weight of BAS 00474098 is 541.01 g/mol.
Where can I buy BAS 00474098?
You can request a quote for BAS 00474098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00474098?
Yes, KEHONG BIO provides custom synthesis services for BAS 00474098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.