VU0494031-1
TL;DR: VU0494031-1 (CAS 478653-54-2) is a chemical compound with molecular formula C22H29Cl2FN2O2 and molecular weight 442.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;dihydrochloride
Also Known As: VU0494031-1, F0840-0176, 1-(2-allylphenoxy)-3-(4-(4-fluorophenyl)piperazin-1-yl)propan-2-ol dihydrochloride, 1-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-3-[2-(PROP-2-EN-1-YL)PHENOXY]PROPAN-2-OL DIHYDROCHLORIDE, 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol Dihydrochloride
| Molecular Formula | C22H29Cl2FN2O2 |
|---|---|
| Molecular Weight | 442.16 g/mol |
| LogP | 3.9597 |
| Topological Polar Surface Area | 35.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.159 |
| Heavy Atoms | 29 |
| Complexity | 737.84705 |
Chemical Identifiers
| CAS Number | 478653-54-2 |
|---|---|
| SMILES | C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)F)O.Cl.Cl |
Product Overview
VU0494031-1 (CAS 478653-54-2), with molecular formula C22H29Cl2FN2O2 and molecular weight 442.16 g/mol. IUPAC: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol;dihydrochloride.
Chemical Property Profile of VU0494031-1
Property Insights of VU0494031-1
The XLogP value of 3.9597 indicates that VU0494031-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.94 Ų, VU0494031-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0494031-1 has 1 hydrogen bond donor(s) and 4 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 VU0494031-1?
The CAS number of VU0494031-1 is 478653-54-2.
What is the molecular formula of VU0494031-1?
The molecular formula of VU0494031-1 is C22H29Cl2FN2O2.
What is the molecular weight of VU0494031-1?
The molecular weight of VU0494031-1 is 442.16 g/mol.
Where can I buy VU0494031-1?
You can request a quote for VU0494031-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0494031-1?
Yes, KEHONG BIO provides custom synthesis services for VU0494031-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.