BIM-0047996.P001
TL;DR: BIM-0047996.P001 (CAS 1164109-20-9) is a chemical compound with molecular formula C16H12N2O6S2 and molecular weight 392.01367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]pentanedioic acid
Also Known As: BIM-0047996.P001, (Z)-2-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)pentanedioic acid, F0393-0700, 2-{4-oxo-5-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl}pentanedioic acid, 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]pentanedioic acid
Technical Specifications
| Molecular Formula | C16H12N2O6S2 |
| Molecular Weight | 392.01367 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.01367 Da |
| Heavy Atoms | 26 |
| Complexity | 896.0 |
| SMILES | C1=CC2=C(C(=O)N=C2C=C1)C3=C(N(C(=S)S3)C(CCC(=O)O)C(=O)O)O |
| InChIKey | RXOSCVWJFRVBKK-UHFFFAOYSA-N |
Chemical Property Profile of BIM-0047996.P001
Property Insights of BIM-0047996.P001
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0047996.P001. The TPSA of 185.0 Ų indicates high polarity, suggesting BIM-0047996.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0047996.P001 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BIM-0047996.P001?
The CAS number of BIM-0047996.P001 is 1164109-20-9.
What is the molecular formula of BIM-0047996.P001?
The molecular formula of BIM-0047996.P001 is C16H12N2O6S2.
What is the molecular weight of BIM-0047996.P001?
The molecular weight of BIM-0047996.P001 is 392.01367 g/mol.
Where can I buy BIM-0047996.P001?
You can request a quote for BIM-0047996.P001 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BIM-0047996.P001?
Yes, CoreyChem provides custom synthesis services for BIM-0047996.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.