VU0513400-1
TL;DR: VU0513400-1 (CAS 898508-71-9) is a chemical compound with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Also Known As: VU0513400-1, F3216-0647, (5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)isoxazol-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone, 1-[5-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-1,2-OXAZOLE-3-CARBONYL]-4-(2-METHOXYPHENYL)PIPERAZINE, [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
| Molecular Formula | C23H23N3O5 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 3.0838 |
| Topological Polar Surface Area | 77.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.16376 |
| Heavy Atoms | 31 |
| Complexity | 1088.3209 |
Chemical Identifiers
| CAS Number | 898508-71-9 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC5=C(C=C4)OCCO5 |
Product Overview
VU0513400-1 (CAS 898508-71-9), with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol. IUPAC: [5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
Chemical Property Profile of VU0513400-1
Property Insights of VU0513400-1
The XLogP value of 3.0838 indicates that VU0513400-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.27 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513400-1. Following Lipinski's Rule of Five, VU0513400-1 has 0 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 VU0513400-1?
The CAS number of VU0513400-1 is 898508-71-9.
What is the molecular formula of VU0513400-1?
The molecular formula of VU0513400-1 is C23H23N3O5.
What is the molecular weight of VU0513400-1?
The molecular weight of VU0513400-1 is 421.16 g/mol.
Where can I buy VU0513400-1?
You can request a quote for VU0513400-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513400-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513400-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.