VU0616953-1
TL;DR: VU0616953-1 (CAS 859128-46-4) is a chemical compound with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]piperazine-1-carboxylate
Also Known As: VU0616953-1, AB00987991-01, ethyl 4-[(7-hydroxy-8-methyl-2-oxo-2H-chromen-4-yl)methyl]piperazine-1-carboxylate, F3385-1912, ethyl 4-((7-hydroxy-8-methyl-2-oxo-2H-chromen-4-yl)methyl)piperazine-1-carboxylate
| Molecular Formula | C18H22N2O5 |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.08112 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 346.15286 |
| Heavy Atoms | 25 |
| Complexity | 837.2107 |
Chemical Identifiers
| CAS Number | 859128-46-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)O |
Product Overview
VU0616953-1 (CAS 859128-46-4), with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol. IUPAC: ethyl 4-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]piperazine-1-carboxylate.
Chemical Property Profile of VU0616953-1
Property Insights of VU0616953-1
The XLogP value of 2.08112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0616953-1. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0616953-1. Following Lipinski's Rule of Five, VU0616953-1 has 1 hydrogen bond donor(s) and 6 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 VU0616953-1?
The CAS number of VU0616953-1 is 859128-46-4.
What is the molecular formula of VU0616953-1?
The molecular formula of VU0616953-1 is C18H22N2O5.
What is the molecular weight of VU0616953-1?
The molecular weight of VU0616953-1 is 346.15 g/mol.
Where can I buy VU0616953-1?
You can request a quote for VU0616953-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0616953-1?
Yes, KEHONG BIO provides custom synthesis services for VU0616953-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.