RefChem:204303
TL;DR: RefChem:204303 (CAS 101302-85-6) is a chemical compound with molecular formula C13H9ClN6OS and molecular weight 332.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-[2-(4-chlorophenyl)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-(4-chlorophenyl)ethyl)-, (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one,6-(2-(4-chlorophenyl)ethyl), 11-[2-(4-chlorophenyl)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-(4-Chlorophenethyl)[1,3,4]thiadiazolo[3,2-a]-1,2,3-triazolo[4,5-d]pyrimidin-9(3H)-one, 6-[2-(4-Chlorophenyl)ethyl][1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(2H)-one
| Molecular Formula | C13H9ClN6OS |
|---|---|
| Molecular Weight | 332.02 g/mol |
| LogP | 1.8609 |
| Topological Polar Surface Area | 88.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.02472 |
| Heavy Atoms | 22 |
| Complexity | 1018.5491 |
Chemical Identifiers
| CAS Number | 101302-85-6 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=NN3C(=O)C4=NNN=C4N=C3S2)Cl |
Product Overview
RefChem:204303 (CAS 101302-85-6), with molecular formula C13H9ClN6OS and molecular weight 332.02 g/mol. IUPAC: 11-[2-(4-chlorophenyl)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:204303
Property Insights of RefChem:204303
The XLogP value of 1.8609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:204303. The TPSA of 88.83 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:204303. Following Lipinski's Rule of Five, RefChem:204303 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:204303?
The CAS number of RefChem:204303 is 101302-85-6.
What is the molecular formula of RefChem:204303?
The molecular formula of RefChem:204303 is C13H9ClN6OS.
What is the molecular weight of RefChem:204303?
The molecular weight of RefChem:204303 is 332.02 g/mol.
Where can I buy RefChem:204303?
You can request a quote for RefChem:204303 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:204303?
Yes, KEHONG BIO provides custom synthesis services for RefChem:204303 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.