RefChem:204153
TL;DR: RefChem:204153 (CAS 105774-54-7) is a chemical compound with molecular formula C18H14N6O2S and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-1-phenyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione
Also Known As: (1,2,4)Triazino(3,4-f)purine-6,8(7H,9H)-dione, 1,4-dihydro-9-methyl-1-phenyl-3-(2-thienyl)-, 1,4-Dihydro-9-methyl-1-phenyl-3-(2-thienyl)-(1,2,4)triazino(3,4-f)purine-6,8(7H,9H)-dione, 9-methyl-1-phenyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, 9-Methyl-1-phenyl-3-(thiophen-2-yl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, BRN 5656451
| Molecular Formula | C18H14N6O2S |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 2.0408 |
| Topological Polar Surface Area | 88.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 378.0899 |
| Heavy Atoms | 27 |
| Complexity | 1297.624 |
Chemical Identifiers
| CAS Number | 105774-54-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N3CC(=NN(C3=N2)C4=CC=CC=C4)C5=CC=CS5 |
Product Overview
RefChem:204153 (CAS 105774-54-7), with molecular formula C18H14N6O2S and molecular weight 378.09 g/mol. IUPAC: 9-methyl-1-phenyl-3-thiophen-2-yl-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of RefChem:204153
Property Insights of RefChem:204153
The XLogP value of 2.0408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:204153. The TPSA of 88.28 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:204153. Following Lipinski's Rule of Five, RefChem:204153 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:204153?
The CAS number of RefChem:204153 is 105774-54-7.
What is the molecular formula of RefChem:204153?
The molecular formula of RefChem:204153 is C18H14N6O2S.
What is the molecular weight of RefChem:204153?
The molecular weight of RefChem:204153 is 378.09 g/mol.
Where can I buy RefChem:204153?
You can request a quote for RefChem:204153 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:204153?
Yes, KEHONG BIO provides custom synthesis services for RefChem:204153 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.