BAS 08176856
TL;DR: BAS 08176856 (CAS 1173698-59-3) is a chemical compound with molecular formula C13H9N3O6 and molecular weight 303.04913 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]benzoic acid
Also Known As: BAS 08176856, J2.748.360G, (E)-4-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)benzoic acid, 4-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]benzoic acid, 4-[(E)-2-(2,6-dihydroxy-5-nitropyrimidin-4-yl)ethenyl]benzoic acid
Technical Specifications
| Molecular Formula | C13H9N3O6 |
| Molecular Weight | 303.04913 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 303.04913 Da |
| Heavy Atoms | 22 |
| Complexity | 581.0 |
| SMILES | C1=CC(=CC=C1/C=C/C2=C(C(=O)NC(=O)N2)[N+](=O)[O-])C(=O)O |
| InChIKey | WTVSECVMOHYKGX-ZZXKWVIFSA-N |
Chemical Property Profile of BAS 08176856
Property Insights of BAS 08176856
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 08176856. The TPSA of 141.0 Ų indicates high polarity, suggesting BAS 08176856 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 08176856 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BAS 08176856?
The CAS number of BAS 08176856 is 1173698-59-3.
What is the molecular formula of BAS 08176856?
The molecular formula of BAS 08176856 is C13H9N3O6.
What is the molecular weight of BAS 08176856?
The molecular weight of BAS 08176856 is 303.04913 g/mol.
Where can I buy BAS 08176856?
You can request a quote for BAS 08176856 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BAS 08176856?
Yes, CoreyChem provides custom synthesis services for BAS 08176856 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.