VU0511047-1
TL;DR: VU0511047-1 (CAS 1008068-64-1) is a chemical compound with molecular formula C20H18ClN5O3 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-2-[5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetamide
Also Known As: VU0511047-1, F3165-0111, N-(4-chlorophenyl)-2-[5-(4-ethylphenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamide, N-(4-chlorophenyl)-2-[5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetamide, N-(4-chlorophenyl)-2-[5-(4-ethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
| Molecular Formula | C20H18ClN5O3 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 2.8343 |
| Topological Polar Surface Area | 94.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1098 |
| Heavy Atoms | 29 |
| Complexity | 990.1812 |
Chemical Identifiers
| CAS Number | 1008068-64-1 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
VU0511047-1 (CAS 1008068-64-1), with molecular formula C20H18ClN5O3 and molecular weight 411.11 g/mol. IUPAC: N-(4-chlorophenyl)-2-[5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetamide.
Chemical Property Profile of VU0511047-1
Property Insights of VU0511047-1
The XLogP value of 2.8343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0511047-1. The TPSA of 94.44 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0511047-1. Following Lipinski's Rule of Five, VU0511047-1 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 VU0511047-1?
The CAS number of VU0511047-1 is 1008068-64-1.
What is the molecular formula of VU0511047-1?
The molecular formula of VU0511047-1 is C20H18ClN5O3.
What is the molecular weight of VU0511047-1?
The molecular weight of VU0511047-1 is 411.11 g/mol.
Where can I buy VU0511047-1?
You can request a quote for VU0511047-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0511047-1?
Yes, KEHONG BIO provides custom synthesis services for VU0511047-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.