RefChem:266002
TL;DR: RefChem:266002 (CAS 67931-94-6) is a chemical compound with molecular formula C25H30Cl2F6N4O and molecular weight 586.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-one;dihydrochloride
Also Known As: 2-Propanone, 1,3-bis(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, dihydrochloride, hydrate, 1,3-Bis(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-2-propanone dihydrochloride hydrate, 1,3-Bis(4-(m-(trifluoromethyl)phenyl)piperazino)-propan-2-one dihydrochloride hydrate, 1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-one dihydrochloride, 1,3-Bis{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-one--hydrogen chloride (1/2)
| Molecular Formula | C25H30Cl2F6N4O |
|---|---|
| Molecular Weight | 586.17 g/mol |
| LogP | 5.0811 |
| Topological Polar Surface Area | 30.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 586.1701 |
| Heavy Atoms | 38 |
| Complexity | 971.1343 |
Chemical Identifiers
| CAS Number | 67931-94-6 |
|---|---|
| SMILES | C1CN(CCN1CC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC(=C4)C(F)(F)F.Cl.Cl |
Product Overview
RefChem:266002 (CAS 67931-94-6), with molecular formula C25H30Cl2F6N4O and molecular weight 586.17 g/mol. IUPAC: 1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-one;dihydrochloride.
Chemical Property Profile of RefChem:266002
Property Insights of RefChem:266002
The XLogP value of 5.0811 indicates that RefChem:266002 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.03 Ų, RefChem:266002 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:266002 has 0 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 RefChem:266002?
The CAS number of RefChem:266002 is 67931-94-6.
What is the molecular formula of RefChem:266002?
The molecular formula of RefChem:266002 is C25H30Cl2F6N4O.
What is the molecular weight of RefChem:266002?
The molecular weight of RefChem:266002 is 586.17 g/mol.
Where can I buy RefChem:266002?
You can request a quote for RefChem:266002 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:266002?
Yes, KEHONG BIO provides custom synthesis services for RefChem:266002 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.