D0B8QA
TL;DR: D0B8QA (CAS 133783-43-4) is a chemical compound with molecular formula C20H22Cl2F4N4OS and molecular weight 512.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;dihydrochloride
Also Known As: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;dihydrochloride
| Molecular Formula | C20H22Cl2F4N4OS |
|---|---|
| Molecular Weight | 512.08 g/mol |
| LogP | 4.88577 |
| Topological Polar Surface Area | 44.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.08276 |
| Heavy Atoms | 32 |
| Complexity | 1079.8787 |
Chemical Identifiers
| CAS Number | 133783-43-4 |
|---|---|
| SMILES | C1CN(CCN1CCN2C3=C(C=C(C=C3)OC(F)(F)F)SC2=N)C4=CC=C(C=C4)F.Cl.Cl |
Product Overview
D0B8QA (CAS 133783-43-4), with molecular formula C20H22Cl2F4N4OS and molecular weight 512.08 g/mol. IUPAC: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;dihydrochloride.
Chemical Property Profile of D0B8QA
Property Insights of D0B8QA
The XLogP value of 4.88577 indicates that D0B8QA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.49 Ų, D0B8QA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D0B8QA has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D0B8QA?
The CAS number of D0B8QA is 133783-43-4.
What is the molecular formula of D0B8QA?
The molecular formula of D0B8QA is C20H22Cl2F4N4OS.
What is the molecular weight of D0B8QA?
The molecular weight of D0B8QA is 512.08 g/mol.
Where can I buy D0B8QA?
You can request a quote for D0B8QA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D0B8QA?
Yes, KEHONG BIO provides custom synthesis services for D0B8QA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.