VU0509422-1
TL;DR: VU0509422-1 (CAS 1005108-54-2) is a chemical compound with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-5-ethyl-3-(4-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
Also Known As: VU0509422-1, VU0509422-2, 1-benzyl-5-ethyl-3-(4-nitrophenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione, 1-benzyl-5-ethyl-3-(4-nitrophenyl)-octahydropyrrolo[3,4-c]pyrazole-4,6-dione, F3115-0074
| Molecular Formula | C20H20N4O4 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 2.0298 |
| Topological Polar Surface Area | 95.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.14847 |
| Heavy Atoms | 28 |
| Complexity | 915.56274 |
Chemical Identifiers
| CAS Number | 1005108-54-2 |
|---|---|
| SMILES | CCN1C(=O)C2C(NN(C2C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
VU0509422-1 (CAS 1005108-54-2), with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol. IUPAC: 1-benzyl-5-ethyl-3-(4-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione.
Chemical Property Profile of VU0509422-1
Property Insights of VU0509422-1
The XLogP value of 2.0298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0509422-1. The TPSA of 95.79 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509422-1. Following Lipinski's Rule of Five, VU0509422-1 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 VU0509422-1?
The CAS number of VU0509422-1 is 1005108-54-2.
What is the molecular formula of VU0509422-1?
The molecular formula of VU0509422-1 is C20H20N4O4.
What is the molecular weight of VU0509422-1?
The molecular weight of VU0509422-1 is 380.15 g/mol.
Where can I buy VU0509422-1?
You can request a quote for VU0509422-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509422-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509422-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.