VU0617139-1
TL;DR: VU0617139-1 (CAS 859111-99-2) is a chemical compound with molecular formula C23H22N2O6 and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,3]dioxolo[4,5-g]chromen-6-one
Also Known As: VU0617139-1, 8-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6H-[1,3]dioxolo[4,5-g]chromen-6-one, F3385-2793, 8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-2H,6H-[1,3]dioxolo[4,5-g]chromen-6-one, 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,3]dioxolo[4,5-g]chromen-6-one
| Molecular Formula | C23H22N2O6 |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 2.5682 |
| Topological Polar Surface Area | 73.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.1478 |
| Heavy Atoms | 31 |
| Complexity | 1198.6263 |
Chemical Identifiers
| CAS Number | 859111-99-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC4=CC(=O)OC5=CC6=C(C=C45)OCO6 |
Product Overview
VU0617139-1 (CAS 859111-99-2), with molecular formula C23H22N2O6 and molecular weight 422.15 g/mol. IUPAC: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-[1,3]dioxolo[4,5-g]chromen-6-one.
Chemical Property Profile of VU0617139-1
Property Insights of VU0617139-1
The XLogP value of 2.5682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0617139-1. The TPSA of 73.61 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0617139-1. Following Lipinski's Rule of Five, VU0617139-1 has 0 hydrogen bond donor(s) and 8 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 VU0617139-1?
The CAS number of VU0617139-1 is 859111-99-2.
What is the molecular formula of VU0617139-1?
The molecular formula of VU0617139-1 is C23H22N2O6.
What is the molecular weight of VU0617139-1?
The molecular weight of VU0617139-1 is 422.15 g/mol.
Where can I buy VU0617139-1?
You can request a quote for VU0617139-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0617139-1?
Yes, KEHONG BIO provides custom synthesis services for VU0617139-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.