BAS 11216051
TL;DR: BAS 11216051 (CAS 774562-33-3) is a chemical compound with molecular formula C13H14N6OS2 and molecular weight 334.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4H-pyrazol-3-one
Also Known As: BAS 11216051, 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-1H-pyrazol-5(4H)-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-[(5-methyl(1,3,4-thiadiazol-2-ylthio))methyl] -2-pyrazolin-5-one, 2-(4,6-DIMETHYL-2-PYRIMIDINYL)-5-{[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]METHYL}-2,4-DIHYDRO-3H-PYRAZOL-3-ONE
| Molecular Formula | C13H14N6OS2 |
|---|---|
| Molecular Weight | 334.07 g/mol |
| LogP | 2.13836 |
| Topological Polar Surface Area | 84.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.06705 |
| Heavy Atoms | 22 |
| Complexity | 736.48865 |
Chemical Identifiers
| CAS Number | 774562-33-3 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=C(S3)C)C |
Product Overview
BAS 11216051 (CAS 774562-33-3), with molecular formula C13H14N6OS2 and molecular weight 334.07 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of BAS 11216051
Property Insights of BAS 11216051
The XLogP value of 2.13836 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 11216051. The TPSA of 84.23 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 11216051. Following Lipinski's Rule of Five, BAS 11216051 has 0 hydrogen bond donor(s) and 8 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 BAS 11216051?
The CAS number of BAS 11216051 is 774562-33-3.
What is the molecular formula of BAS 11216051?
The molecular formula of BAS 11216051 is C13H14N6OS2.
What is the molecular weight of BAS 11216051?
The molecular weight of BAS 11216051 is 334.07 g/mol.
Where can I buy BAS 11216051?
You can request a quote for BAS 11216051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 11216051?
Yes, KEHONG BIO provides custom synthesis services for BAS 11216051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.