TOS-BB-0498
TL;DR: TOS-BB-0498 (CAS 1415814-69-5) is a chemical compound with molecular formula C19H16N2O4 and molecular weight 336.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
Also Known As: TOS-BB-0498, BIM-0021252.P001, 4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid, AB00086357-01, (3aR,9bS)-4-(3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
Technical Specifications
| Molecular Formula | C19H16N2O4 |
| Molecular Weight | 336.111 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.111 Da |
| Heavy Atoms | 25 |
| Complexity | 572.0 |
| SMILES | C1C=CC2C1C(NC3=C2C=C(C=C3)C(=O)O)C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | LHSUTBGPVJHKPC-UHFFFAOYSA-N |
Chemical Property Profile of TOS-BB-0498
Property Insights of TOS-BB-0498
The XLogP value of 3.7 indicates that TOS-BB-0498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for TOS-BB-0498. Following Lipinski's Rule of Five, TOS-BB-0498 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of TOS-BB-0498?
The CAS number of TOS-BB-0498 is 1415814-69-5.
What is the molecular formula of TOS-BB-0498?
The molecular formula of TOS-BB-0498 is C19H16N2O4.
What is the molecular weight of TOS-BB-0498?
The molecular weight of TOS-BB-0498 is 336.111 g/mol.
Where can I buy TOS-BB-0498?
You can request a quote for TOS-BB-0498 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TOS-BB-0498?
Yes, CoreyChem provides custom synthesis services for TOS-BB-0498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.