Chembridge compound 7
TL;DR: Chembridge compound 7 (CAS 113054-23-2) is a chemical compound with molecular formula C11H6N4O4S2 and molecular weight 321.98303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-amino-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)-5-nitroindol-2-one
Also Known As: Chembridge compound 7, AB00113200-01, (5Z)-3-amino-5-(5-nitro-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-3-amino-5-(5-nitro-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-amino-5-(5-nitro-2-oxo-1H-indol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Technical Specifications
| Molecular Formula | C11H6N4O4S2 |
| Molecular Weight | 321.98303 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 182.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.98303 Da |
| Heavy Atoms | 21 |
| Complexity | 770.0 |
| SMILES | C1=CC2=NC(=O)C(=C2C=C1[N+](=O)[O-])C3=C(N(C(=S)S3)N)O |
| InChIKey | PPZONKNWKGWBIE-UHFFFAOYSA-N |
Chemical Property Profile of Chembridge compound 7
Property Insights of Chembridge compound 7
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chembridge compound 7. The TPSA of 182.0 Ų indicates high polarity, suggesting Chembridge compound 7 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chembridge compound 7 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Chembridge compound 7?
The CAS number of Chembridge compound 7 is 113054-23-2.
What is the molecular formula of Chembridge compound 7?
The molecular formula of Chembridge compound 7 is C11H6N4O4S2.
What is the molecular weight of Chembridge compound 7?
The molecular weight of Chembridge compound 7 is 321.98303 g/mol.
Where can I buy Chembridge compound 7?
You can request a quote for Chembridge compound 7 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Chembridge compound 7?
Yes, CoreyChem provides custom synthesis services for Chembridge compound 7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.