VU0513340-1
TL;DR: VU0513340-1 (CAS 794549-94-3) is a chemical compound with molecular formula C18H15ClN4O2S and molecular weight 386.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: VU0513340-1, 3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-chlorobenzyl)-6-(3,4-dimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, AP-501/43237266, F3215-0183
| Molecular Formula | C18H15ClN4O2S |
|---|---|
| Molecular Weight | 386.06 g/mol |
| LogP | 4.1142 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.06042 |
| Heavy Atoms | 26 |
| Complexity | 1058.9366 |
Chemical Identifiers
| CAS Number | 794549-94-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN3C(=NN=C3S2)CC4=CC=C(C=C4)Cl)OC |
Product Overview
VU0513340-1 (CAS 794549-94-3), with molecular formula C18H15ClN4O2S and molecular weight 386.06 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of VU0513340-1
Property Insights of VU0513340-1
The XLogP value of 4.1142 indicates that VU0513340-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0513340-1. Following Lipinski's Rule of Five, VU0513340-1 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 VU0513340-1?
The CAS number of VU0513340-1 is 794549-94-3.
What is the molecular formula of VU0513340-1?
The molecular formula of VU0513340-1 is C18H15ClN4O2S.
What is the molecular weight of VU0513340-1?
The molecular weight of VU0513340-1 is 386.06 g/mol.
Where can I buy VU0513340-1?
You can request a quote for VU0513340-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0513340-1?
Yes, KEHONG BIO provides custom synthesis services for VU0513340-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.