BAS 00686587
TL;DR: BAS 00686587 (CAS 306279-70-9) is a chemical compound with molecular formula C21H18N2O2S2 and molecular weight 394.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: BAS 00686587, (3Z)-1-butyl-3-(4-oxo-3-phenyl-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one, (Z)-5-(1-butyl-2-oxoindolin-3-ylidene)-3-phenyl-2-thioxothiazolidin-4-one, (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one, 5-(1-butyl-2-oxobenzo[d]azolin-3-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4- one
| Molecular Formula | C21H18N2O2S2 |
|---|---|
| Molecular Weight | 394.08 g/mol |
| LogP | 4.6093 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.08096 |
| Heavy Atoms | 27 |
| Complexity | 969.15674 |
Chemical Identifiers
| CAS Number | 306279-70-9 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C4=CC=CC=C4)/C1=O |
Product Overview
BAS 00686587 (CAS 306279-70-9), with molecular formula C21H18N2O2S2 and molecular weight 394.08 g/mol. IUPAC: (5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of BAS 00686587
Property Insights of BAS 00686587
The XLogP value of 4.6093 indicates that BAS 00686587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, BAS 00686587 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00686587 has 0 hydrogen bond donor(s) and 4 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 00686587?
The CAS number of BAS 00686587 is 306279-70-9.
What is the molecular formula of BAS 00686587?
The molecular formula of BAS 00686587 is C21H18N2O2S2.
What is the molecular weight of BAS 00686587?
The molecular weight of BAS 00686587 is 394.08 g/mol.
Where can I buy BAS 00686587?
You can request a quote for BAS 00686587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00686587?
Yes, KEHONG BIO provides custom synthesis services for BAS 00686587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.