RefChem:204154
TL;DR: RefChem:204154 (CAS 105774-52-5) is a chemical compound with molecular formula C12H10N6O2S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-3-thiophen-2-yl-1,4-dihydropurino[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-3-(2-thienyl)-, 1,4-Dihydro-9-methyl-3-(2-thienyl)-(1,2,4)triazino(3,4-f)purine-6,8(7H,9H)-dione, 9-Methyl-3-(thiophen-2-yl)-1,4-dihydro[1,2,4]triazino[3,4-f]purine-6,8(7H,9H)-dione, 9-methyl-3-thiophen-2-yl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione, BRN 5631925
| Molecular Formula | C12H10N6O2S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 0.3146 |
| Topological Polar Surface Area | 97.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.0586 |
| Heavy Atoms | 21 |
| Complexity | 991.33673 |
Chemical Identifiers
| CAS Number | 105774-52-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N3CC(=NNC3=N2)C4=CC=CS4 |
Product Overview
RefChem:204154 (CAS 105774-52-5), with molecular formula C12H10N6O2S and molecular weight 302.06 g/mol. IUPAC: 9-methyl-3-thiophen-2-yl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of RefChem:204154
Property Insights of RefChem:204154
The XLogP value of 0.3146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:204154. The TPSA of 97.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:204154. Following Lipinski's Rule of Five, RefChem:204154 has 2 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:204154?
The CAS number of RefChem:204154 is 105774-52-5.
What is the molecular formula of RefChem:204154?
The molecular formula of RefChem:204154 is C12H10N6O2S.
What is the molecular weight of RefChem:204154?
The molecular weight of RefChem:204154 is 302.06 g/mol.
Where can I buy RefChem:204154?
You can request a quote for RefChem:204154 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:204154?
Yes, KEHONG BIO provides custom synthesis services for RefChem:204154 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.