RefChem:204302
TL;DR: RefChem:204302 (CAS 101302-79-8) is a chemical compound with molecular formula C14H12N6OS and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[2-(3-methylphenyl)ethyl]-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: (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, 6-(2-(3-methylphenyl)ethyl)-, (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one,6-(2-(3-methylphenyl)ethyl), 11-[2-(3-methylphenyl)ethyl]-10-thia-1,4,5,6,8,12-hexaazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one, 6-(3-Methylphenethyl)[1,3,4]thiadiazolo[3,2-a]-1,2,3-triazolo[4,5-d]pyrimidin-9(3H)-one, 6-[2-(3-Methylphenyl)ethyl][1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(2H)-one
| Molecular Formula | C14H12N6OS |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 1.51592 |
| Topological Polar Surface Area | 88.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.0793 |
| Heavy Atoms | 22 |
| Complexity | 1030.6018 |
Chemical Identifiers
| CAS Number | 101302-79-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CCC2=NN3C(=O)C4=NNN=C4N=C3S2 |
Product Overview
RefChem:204302 (CAS 101302-79-8), with molecular formula C14H12N6OS and molecular weight 312.08 g/mol. IUPAC: 11-[2-(3-methylphenyl)ethyl]-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:204302
Property Insights of RefChem:204302
The XLogP value of 1.51592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:204302. The TPSA of 88.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:204302. Following Lipinski's Rule of Five, RefChem:204302 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:204302?
The CAS number of RefChem:204302 is 101302-79-8.
What is the molecular formula of RefChem:204302?
The molecular formula of RefChem:204302 is C14H12N6OS.
What is the molecular weight of RefChem:204302?
The molecular weight of RefChem:204302 is 312.08 g/mol.
Where can I buy RefChem:204302?
You can request a quote for RefChem:204302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:204302?
Yes, KEHONG BIO provides custom synthesis services for RefChem:204302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.