VU0609350-1
TL;DR: VU0609350-1 (CAS 904813-85-0) is a chemical compound with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]benzoate
Also Known As: VU0609350-1, F3296-0519, methyl 2-(1-(4-isopropylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamido)benzoate, methyl 2-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4-amido}benzoate, methyl 2-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]benzoate
| Molecular Formula | C21H22N4O3 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 3.73802 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.1692 |
| Heavy Atoms | 28 |
| Complexity | 1006.7451 |
Chemical Identifiers
| CAS Number | 904813-85-0 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)C(C)C)C(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
VU0609350-1 (CAS 904813-85-0), with molecular formula C21H22N4O3 and molecular weight 378.17 g/mol. IUPAC: methyl 2-[[5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of VU0609350-1
Property Insights of VU0609350-1
The XLogP value of 3.73802 indicates that VU0609350-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0609350-1. Following Lipinski's Rule of Five, VU0609350-1 has 1 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 VU0609350-1?
The CAS number of VU0609350-1 is 904813-85-0.
What is the molecular formula of VU0609350-1?
The molecular formula of VU0609350-1 is C21H22N4O3.
What is the molecular weight of VU0609350-1?
The molecular weight of VU0609350-1 is 378.17 g/mol.
Where can I buy VU0609350-1?
You can request a quote for VU0609350-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0609350-1?
Yes, KEHONG BIO provides custom synthesis services for VU0609350-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.