VU0509875-1
TL;DR: VU0509875-1 (CAS 695218-45-2) is a chemical compound with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoyl]piperazine-1-carboxylate
Also Known As: VU0509875-1, ethyl 4-{[4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]carbonyl}piperazine-1-carboxylate, F3127-0283, A3546/0150309, ethyl 4-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoyl]piperazine-1-carboxylate
| Molecular Formula | C22H27N3O5 |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 2.2805 |
| Topological Polar Surface Area | 87.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.19507 |
| Heavy Atoms | 30 |
| Complexity | 820.8339 |
Chemical Identifiers
| CAS Number | 695218-45-2 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=O)C4CCCCC4C3=O |
Product Overview
VU0509875-1 (CAS 695218-45-2), with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol. IUPAC: ethyl 4-[4-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoyl]piperazine-1-carboxylate.
Chemical Property Profile of VU0509875-1
Property Insights of VU0509875-1
The XLogP value of 2.2805 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0509875-1. The TPSA of 87.23 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509875-1. Following Lipinski's Rule of Five, VU0509875-1 has 0 hydrogen bond donor(s) and 5 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 VU0509875-1?
The CAS number of VU0509875-1 is 695218-45-2.
What is the molecular formula of VU0509875-1?
The molecular formula of VU0509875-1 is C22H27N3O5.
What is the molecular weight of VU0509875-1?
The molecular weight of VU0509875-1 is 413.20 g/mol.
Where can I buy VU0509875-1?
You can request a quote for VU0509875-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509875-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509875-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.