BCB02_000111
TL;DR: BCB02_000111 (CAS 1005144-85-3) is a chemical compound with molecular formula C28H20F6N4O5 and molecular weight 606.1338 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-1-(4-nitroanilino)-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
Also Known As: BCB02_000111, 2-[[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-1-(4-nitroanilino)-6-phenyl-4a,7a-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione, T71639
Technical Specifications
| Molecular Formula | C28H20F6N4O5 |
| Molecular Weight | 606.1338 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 606.1338 Da |
| Heavy Atoms | 43 |
| Complexity | 1060.0 |
| SMILES | C1=CC=C(C=C1)N2C(=O)C3C=CC(N(C3C2=O)NC4=CC=C(C=C4)[N+](=O)[O-])C(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)O |
| InChIKey | AJBUQKRAPCIJPQ-UHFFFAOYSA-N |
Chemical Property Profile of BCB02_000111
Property Insights of BCB02_000111
The XLogP value of 6.2 indicates that BCB02_000111 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BCB02_000111. Following Lipinski's Rule of Five, BCB02_000111 has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BCB02_000111?
The CAS number of BCB02_000111 is 1005144-85-3.
What is the molecular formula of BCB02_000111?
The molecular formula of BCB02_000111 is C28H20F6N4O5.
What is the molecular weight of BCB02_000111?
The molecular weight of BCB02_000111 is 606.1338 g/mol.
Where can I buy BCB02_000111?
You can request a quote for BCB02_000111 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BCB02_000111?
Yes, CoreyChem provides custom synthesis services for BCB02_000111 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.