VU0616999-1
TL;DR: VU0616999-1 (CAS 896816-22-1) is a chemical compound with molecular formula C23H24N2O5 and molecular weight 408.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-hydroxy-7-methylchromen-2-one
Also Known As: VU0616999-1, 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-5-hydroxy-7-methyl-2H-chromen-2-one, 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-5-hydroxy-7-methyl-2H-chromen-2-one, F3385-2144, 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-hydroxy-7-methylchromen-2-one
| Molecular Formula | C23H24N2O5 |
|---|---|
| Molecular Weight | 408.17 g/mol |
| LogP | 2.85352 |
| Topological Polar Surface Area | 75.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.16852 |
| Heavy Atoms | 30 |
| Complexity | 1148.274 |
Chemical Identifiers
| CAS Number | 896816-22-1 |
|---|---|
| SMILES | CC1=CC(=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O |
Product Overview
VU0616999-1 (CAS 896816-22-1), with molecular formula C23H24N2O5 and molecular weight 408.17 g/mol. IUPAC: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-hydroxy-7-methylchromen-2-one.
Chemical Property Profile of VU0616999-1
Property Insights of VU0616999-1
The XLogP value of 2.85352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0616999-1. The TPSA of 75.38 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0616999-1. Following Lipinski's Rule of Five, VU0616999-1 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 VU0616999-1?
The CAS number of VU0616999-1 is 896816-22-1.
What is the molecular formula of VU0616999-1?
The molecular formula of VU0616999-1 is C23H24N2O5.
What is the molecular weight of VU0616999-1?
The molecular weight of VU0616999-1 is 408.17 g/mol.
Where can I buy VU0616999-1?
You can request a quote for VU0616999-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0616999-1?
Yes, KEHONG BIO provides custom synthesis services for VU0616999-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.