PBI-A
TL;DR: PBI-A (CAS 123567-24-8) is a chemical compound with molecular formula C15H15N3O4 and molecular weight 301.10626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
PBI-A
[6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] acetate
Also Known As: PBI-A, 6-N-Aziridinyl-3-hydrox-7-methyl-2,3-dihydro-1H-pyrrolo(1,2-a)benzimidazole-5,8-dione 3-acetate, [6-(aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] acetate, 1H-Pyrrolo(1,2-a)benzimidazol-3-ol, 2,3,5,8-tetrahydro-6-(1-aziridinyl)-5,8-dioxo-7-methyl-, acetate (ester), 3-Acetoxy-6-(1-aziridinyl)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione
Technical Specifications
| Molecular Formula | C15H15N3O4 |
| Molecular Weight | 301.10626 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 81.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.10626 Da |
| Heavy Atoms | 22 |
| Complexity | 610.0 |
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C)N4CC4 |
| InChIKey | FFUXDQVPXSUWDA-UHFFFAOYSA-N |
Chemical Property Profile of PBI-A
Property Insights of PBI-A
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PBI-A. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for PBI-A. Following Lipinski's Rule of Five, PBI-A has 0 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 PBI-A?
The CAS number of PBI-A is 123567-24-8.
What is the molecular formula of PBI-A?
The molecular formula of PBI-A is C15H15N3O4.
What is the molecular weight of PBI-A?
The molecular weight of PBI-A is 301.10626 g/mol.
Where can I buy PBI-A?
You can request a quote for PBI-A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for PBI-A?
Yes, CoreyChem provides custom synthesis services for PBI-A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.