VU0188406-3
TL;DR: VU0188406-3 (CAS 690961-75-2) is a chemical compound with molecular formula C21H21ClN4O2S2 and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: VU0188406-3, 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone, 2-{[5-(4-chlorophenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]thio}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone, 2-((5-(4-chlorophenyl)thiazolo[2,3-c][1,2,4]triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, 2-{[5-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethan-1-one
| Molecular Formula | C21H21ClN4O2S2 |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 5.15094 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.07944 |
| Heavy Atoms | 30 |
| Complexity | 1194.0104 |
Chemical Identifiers
| CAS Number | 690961-75-2 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NN=C3N2C(=CS3)C4=CC=C(C=C4)Cl |
Product Overview
VU0188406-3 (CAS 690961-75-2), with molecular formula C21H21ClN4O2S2 and molecular weight 460.08 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of VU0188406-3
Property Insights of VU0188406-3
The XLogP value of 5.15094 indicates that VU0188406-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0188406-3. Following Lipinski's Rule of Five, VU0188406-3 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0188406-3?
The CAS number of VU0188406-3 is 690961-75-2.
What is the molecular formula of VU0188406-3?
The molecular formula of VU0188406-3 is C21H21ClN4O2S2.
What is the molecular weight of VU0188406-3?
The molecular weight of VU0188406-3 is 460.08 g/mol.
Where can I buy VU0188406-3?
You can request a quote for VU0188406-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0188406-3?
Yes, KEHONG BIO provides custom synthesis services for VU0188406-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.