VU0124933-3
TL;DR: VU0124933-3 (CAS 474002-05-6) is a chemical compound with molecular formula C22H30Cl2N2O5 and molecular weight 472.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride
Also Known As: VU0124933-3, F0874-0085, 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(4-methoxyphenoxy)propan-2-ol dihydrochloride, 1-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3-(4-methoxyphenoxy)propan-2-ol dihydrochloride, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol dihydrochloride
| Molecular Formula | C22H30Cl2N2O5 |
|---|---|
| Molecular Weight | 472.15 g/mol |
| LogP | 2.825 |
| Topological Polar Surface Area | 63.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.15317 |
| Heavy Atoms | 31 |
| Complexity | 800.9883 |
Chemical Identifiers
| CAS Number | 474002-05-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC4=C(C=C3)OCO4)O.Cl.Cl |
Product Overview
VU0124933-3 (CAS 474002-05-6), with molecular formula C22H30Cl2N2O5 and molecular weight 472.15 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;dihydrochloride.
Chemical Property Profile of VU0124933-3
Property Insights of VU0124933-3
The XLogP value of 2.825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0124933-3. The TPSA of 63.63 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0124933-3. Following Lipinski's Rule of Five, VU0124933-3 has 1 hydrogen bond donor(s) and 7 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 VU0124933-3?
The CAS number of VU0124933-3 is 474002-05-6.
What is the molecular formula of VU0124933-3?
The molecular formula of VU0124933-3 is C22H30Cl2N2O5.
What is the molecular weight of VU0124933-3?
The molecular weight of VU0124933-3 is 472.15 g/mol.
Where can I buy VU0124933-3?
You can request a quote for VU0124933-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0124933-3?
Yes, KEHONG BIO provides custom synthesis services for VU0124933-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.