VU0511064-1
TL;DR: VU0511064-1 (CAS 1024232-41-4) is a chemical compound with molecular formula C21H18ClN5O5 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetyl]amino]benzoate
Also Known As: VU0511064-1, ethyl 4-({[5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate, ethyl 4-[[2-[5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetyl]amino]benzoate, ethyl 4-{2-[5-(4-chlorophenyl)-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-d][1,2,3]triazol-1-yl]acetamido}benzoate, F3165-0165
| Molecular Formula | C21H18ClN5O5 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 2.4486 |
| Topological Polar Surface Area | 120.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.09964 |
| Heavy Atoms | 32 |
| Complexity | 1102.5684 |
Chemical Identifiers
| CAS Number | 1024232-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Cl)N=N2 |
Product Overview
VU0511064-1 (CAS 1024232-41-4), with molecular formula C21H18ClN5O5 and molecular weight 455.10 g/mol. IUPAC: ethyl 4-[[2-[5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetyl]amino]benzoate.
Chemical Property Profile of VU0511064-1
Property Insights of VU0511064-1
The XLogP value of 2.4486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0511064-1. The TPSA of 120.74 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0511064-1. Following Lipinski's Rule of Five, VU0511064-1 has 1 hydrogen bond donor(s) and 8 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 VU0511064-1?
The CAS number of VU0511064-1 is 1024232-41-4.
What is the molecular formula of VU0511064-1?
The molecular formula of VU0511064-1 is C21H18ClN5O5.
What is the molecular weight of VU0511064-1?
The molecular weight of VU0511064-1 is 455.10 g/mol.
Where can I buy VU0511064-1?
You can request a quote for VU0511064-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0511064-1?
Yes, KEHONG BIO provides custom synthesis services for VU0511064-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.