BAS 00664199
TL;DR: BAS 00664199 (CAS 97016-14-3) is a chemical compound with molecular formula C22H17N3O4S2 and molecular weight 451.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00664199, (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-[(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (Z)-5-(benzo[d][1,3]dioxol-5-ylmethylene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxothiazolidin-4-one, 5-(1,3-benzodioxol-5-ylmethylene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C22H17N3O4S2 |
|---|---|
| Molecular Weight | 451.07 g/mol |
| LogP | 3.61892 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.06604 |
| Heavy Atoms | 31 |
| Complexity | 1324.5143 |
Chemical Identifiers
| CAS Number | 97016-14-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/SC3=S |
Product Overview
BAS 00664199 (CAS 97016-14-3), with molecular formula C22H17N3O4S2 and molecular weight 451.07 g/mol. IUPAC: (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00664199
Property Insights of BAS 00664199
The XLogP value of 3.61892 indicates that BAS 00664199 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00664199. Following Lipinski's Rule of Five, BAS 00664199 has 0 hydrogen bond donor(s) and 6 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 BAS 00664199?
The CAS number of BAS 00664199 is 97016-14-3.
What is the molecular formula of BAS 00664199?
The molecular formula of BAS 00664199 is C22H17N3O4S2.
What is the molecular weight of BAS 00664199?
The molecular weight of BAS 00664199 is 451.07 g/mol.
Where can I buy BAS 00664199?
You can request a quote for BAS 00664199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00664199?
Yes, KEHONG BIO provides custom synthesis services for BAS 00664199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.