VU0606961-1
TL;DR: VU0606961-1 (CAS 890594-44-2) is a chemical compound with molecular formula C21H31N5O3S and molecular weight 433.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
Also Known As: VU0606961-1, 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one, 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-1-(4-(mesitylsulfonyl)piperazin-1-yl)butan-1-one, 3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-1-[4-(2,4,6-trimethylbenzenesulfonyl)piperazin-1-yl]butan-1-one, 3-(3,5-dimethyl(1,2,4-triazolyl))-1-{4-[(2,4,6-trimethylphenyl)sulfonyl]pipera zinyl}butan-1-one
| Molecular Formula | C21H31N5O3S |
|---|---|
| Molecular Weight | 433.21 g/mol |
| LogP | 2.3044 |
| Topological Polar Surface Area | 88.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.21475 |
| Heavy Atoms | 30 |
| Complexity | 1029.5844 |
Chemical Identifiers
| CAS Number | 890594-44-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CC(C)N3C(=NC(=N3)C)C)C |
Product Overview
VU0606961-1 (CAS 890594-44-2), with molecular formula C21H31N5O3S and molecular weight 433.21 g/mol. IUPAC: 3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one.
Chemical Property Profile of VU0606961-1
Property Insights of VU0606961-1
The XLogP value of 2.3044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0606961-1. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0606961-1. Following Lipinski's Rule of Five, VU0606961-1 has 0 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 VU0606961-1?
The CAS number of VU0606961-1 is 890594-44-2.
What is the molecular formula of VU0606961-1?
The molecular formula of VU0606961-1 is C21H31N5O3S.
What is the molecular weight of VU0606961-1?
The molecular weight of VU0606961-1 is 433.21 g/mol.
Where can I buy VU0606961-1?
You can request a quote for VU0606961-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0606961-1?
Yes, KEHONG BIO provides custom synthesis services for VU0606961-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.