Bcr-abl Inhibitor II
TL;DR: Bcr-abl Inhibitor II (CAS 607702-99-8) is a chemical compound with molecular formula C16H11F2N3OS2 and molecular weight 363.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
Also Known As: Bcr-abl Inhibitor II, 4-Fluoro-N-(5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)benzamide, BO1, 4-fluoro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide, 4-fluoro-N-(5-(4-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)benzamide
| Molecular Formula | C16H11F2N3OS2 |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 4.3609 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.03116 |
| Heavy Atoms | 24 |
| Complexity | 835.2887 |
Chemical Identifiers
| CAS Number | 607702-99-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)F)F |
Product Overview
Bcr-abl Inhibitor II (CAS 607702-99-8), with molecular formula C16H11F2N3OS2 and molecular weight 363.03 g/mol. IUPAC: 4-fluoro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide.
Chemical Property Profile of Bcr-abl Inhibitor II
Property Insights of Bcr-abl Inhibitor II
The XLogP value of 4.3609 indicates that Bcr-abl Inhibitor II is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, Bcr-abl Inhibitor II exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bcr-abl Inhibitor II has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bcr-abl Inhibitor II?
The CAS number of Bcr-abl Inhibitor II is 607702-99-8.
What is the molecular formula of Bcr-abl Inhibitor II?
The molecular formula of Bcr-abl Inhibitor II is C16H11F2N3OS2.
What is the molecular weight of Bcr-abl Inhibitor II?
The molecular weight of Bcr-abl Inhibitor II is 363.03 g/mol.
Where can I buy Bcr-abl Inhibitor II?
You can request a quote for Bcr-abl Inhibitor II directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bcr-abl Inhibitor II?
Yes, KEHONG BIO provides custom synthesis services for Bcr-abl Inhibitor II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.