VU0513298-1
TL;DR: VU0513298-1 (CAS 890602-94-5) is a chemical compound with molecular formula C20H17N7S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-6-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: VU0513298-1, F3215-0010, 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole, 3-benzyl-6-[5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazol-4-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-benzyl-6-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C20H17N7S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.64114 |
| Topological Polar Surface Area | 73.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12662 |
| Heavy Atoms | 28 |
| Complexity | 1266.457 |
Chemical Identifiers
| CAS Number | 890602-94-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=C(N=N2)C3=NN4C(=NN=C4S3)CC5=CC=CC=C5)C |
Product Overview
VU0513298-1 (CAS 890602-94-5), with molecular formula C20H17N7S and molecular weight 387.13 g/mol. IUPAC: 3-benzyl-6-[5-methyl-1-(3-methylphenyl)triazol-4-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of VU0513298-1
Property Insights of VU0513298-1
The XLogP value of 3.64114 indicates that VU0513298-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.79 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513298-1. Following Lipinski's Rule of Five, VU0513298-1 has 0 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 VU0513298-1?
The CAS number of VU0513298-1 is 890602-94-5.
What is the molecular formula of VU0513298-1?
The molecular formula of VU0513298-1 is C20H17N7S.
What is the molecular weight of VU0513298-1?
The molecular weight of VU0513298-1 is 387.13 g/mol.
Where can I buy VU0513298-1?
You can request a quote for VU0513298-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513298-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513298-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.