TH-9402 free base
TL;DR: TH-9402 free base (CAS 1373958-68-9) is a chemical compound with molecular formula C21H14Br2N2O3 and molecular weight 499.93713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3-amino-4,5-dibromo-6-iminoxanthen-9-yl)benzoate
Also Known As: TH-9402 free base, diBr-Rh-ME, 4,5 DIBROMORHODAMINE METHYL ESTER, 4,5-DIBROMORHODAMINE METHYL ESTER, 4,5-DIBROMORHODAMINE 123 FREE BASE
Technical Specifications
| Molecular Formula | C21H14Br2N2O3 |
| Molecular Weight | 499.93713 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 85.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.93713 Da |
| Heavy Atoms | 28 |
| Complexity | 789.0 |
| SMILES | COC(=O)C1=CC=CC=C1C2=C3C=CC(=N)C(=C3OC4=C2C=CC(=C4Br)N)Br |
| InChIKey | QDBPSMVYZMGGGG-UHFFFAOYSA-N |
Chemical Property Profile of TH-9402 free base
Property Insights of TH-9402 free base
The XLogP value of 4.1 indicates that TH-9402 free base is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.4 Ų falls within the moderate polarity range, balancing permeability and solubility for TH-9402 free base. Following Lipinski's Rule of Five, TH-9402 free base 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 TH-9402 free base?
The CAS number of TH-9402 free base is 1373958-68-9.
What is the molecular formula of TH-9402 free base?
The molecular formula of TH-9402 free base is C21H14Br2N2O3.
What is the molecular weight of TH-9402 free base?
The molecular weight of TH-9402 free base is 499.93713 g/mol.
Where can I buy TH-9402 free base?
You can request a quote for TH-9402 free base directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TH-9402 free base?
Yes, CoreyChem provides custom synthesis services for TH-9402 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.