BAS 00555969
TL;DR: BAS 00555969 (CAS 290835-00-6) is a chemical compound with molecular formula C14H9BrN2O4S2 and molecular weight 411.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid
Also Known As: BAS 00555969, AF-399/36462020, (Z)-2-(5-(5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, F0207-0243, 2-{5-[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
| Molecular Formula | C14H9BrN2O4S2 |
|---|---|
| Molecular Weight | 411.92 g/mol |
| LogP | 1.75159 |
| Topological Polar Surface Area | 91.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.9187 |
| Heavy Atoms | 23 |
| Complexity | 1038.0223 |
Chemical Identifiers
| CAS Number | 290835-00-6 |
|---|---|
| SMILES | CC(C(=O)O)N1C(=C(SC1=S)C2=C3C=C(C=CC3=NC2=O)Br)O |
Product Overview
BAS 00555969 (CAS 290835-00-6), with molecular formula C14H9BrN2O4S2 and molecular weight 411.92 g/mol. IUPAC: 2-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]propanoic acid.
Chemical Property Profile of BAS 00555969
Property Insights of BAS 00555969
The XLogP value of 1.75159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00555969. The TPSA of 91.89 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00555969. Following Lipinski's Rule of Five, BAS 00555969 has 2 hydrogen bond donor(s) and 5 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 00555969?
The CAS number of BAS 00555969 is 290835-00-6.
What is the molecular formula of BAS 00555969?
The molecular formula of BAS 00555969 is C14H9BrN2O4S2.
What is the molecular weight of BAS 00555969?
The molecular weight of BAS 00555969 is 411.92 g/mol.
Where can I buy BAS 00555969?
You can request a quote for BAS 00555969 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00555969?
Yes, KEHONG BIO provides custom synthesis services for BAS 00555969 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.