RefChem:204306
TL;DR: RefChem:204306 (CAS 101324-50-9) is a chemical compound with molecular formula C13H10N6OS and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(2-phenylethyl)-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one
Also Known As: 6-(2-Phenylethyl)-(1,3,4)thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-phenylethyl)-, 2-Propenamide, 2-methyl-N-[2-(1H-pyrazol-1-yl)ethyl]-, 2-Propenamide, N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-, 6-(2-phenylethyl)-<1,3,4>thiadiazolo<3,2-a>-1,2,3-triazolo<4,5-d>pyrimidin-9-(3H)-one
| Molecular Formula | C13H10N6OS |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 1.2075 |
| Topological Polar Surface Area | 88.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.0637 |
| Heavy Atoms | 21 |
| Complexity | 970.5815 |
Chemical Identifiers
| CAS Number | 101324-50-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=NN3C(=O)C4=NNN=C4N=C3S2 |
Product Overview
RefChem:204306 (CAS 101324-50-9), with molecular formula C13H10N6OS and molecular weight 298.06 g/mol. IUPAC: 11-(2-phenylethyl)-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one.
Chemical Property Profile of RefChem:204306
Property Insights of RefChem:204306
The XLogP value of 1.2075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:204306. The TPSA of 88.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:204306. Following Lipinski's Rule of Five, RefChem:204306 has 1 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 RefChem:204306?
The CAS number of RefChem:204306 is 101324-50-9.
What is the molecular formula of RefChem:204306?
The molecular formula of RefChem:204306 is C13H10N6OS.
What is the molecular weight of RefChem:204306?
The molecular weight of RefChem:204306 is 298.06 g/mol.
Where can I buy RefChem:204306?
You can request a quote for RefChem:204306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:204306?
Yes, KEHONG BIO provides custom synthesis services for RefChem:204306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.