RefChem:204147
TL;DR: RefChem:204147 (CAS 106087-39-2) is a chemical compound with molecular formula C21H27N7O3 and molecular weight 425.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-9-methyl-7-(morpholin-4-ylmethyl)-3-phenyl-5a,9a-dihydro-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-1-ethyl-9-methyl-7-(morpholinomethyl)-3-phenyl-, 1-ethyl-9-methyl-7-(morpholin-4-ylmethyl)-3-phenyl-5a,9a-dihydro-4H-purino[8,7-c][1,2,4]triazine-6,8-dione, 1-Ethyl-9-methyl-7-[(morpholin-4-yl)methyl]-3-phenyl-1,4,9,9a-tetrahydro[1,2,4]triazino[3,4-f]purine-6,8(5aH,7H)-dione, RefChem:204147
| Molecular Formula | C21H27N7O3 |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | 0.2762 |
| Topological Polar Surface Area | 84.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.21753 |
| Heavy Atoms | 31 |
| Complexity | 928.1609 |
Chemical Identifiers
| CAS Number | 106087-39-2 |
|---|---|
| SMILES | CCN1C2=NC3C(N2CC(=N1)C4=CC=CC=C4)C(=O)N(C(=O)N3C)CN5CCOCC5 |
Product Overview
RefChem:204147 (CAS 106087-39-2), with molecular formula C21H27N7O3 and molecular weight 425.22 g/mol. IUPAC: 1-ethyl-9-methyl-7-(morpholin-4-ylmethyl)-3-phenyl-5a,9a-dihydro-4H-purino[8,7-c][1,2,4]triazine-6,8-dione.
Chemical Property Profile of RefChem:204147
Property Insights of RefChem:204147
The XLogP value of 0.2762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:204147. The TPSA of 84.29 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:204147. Following Lipinski's Rule of Five, RefChem:204147 has 0 hydrogen bond donor(s) and 8 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:204147?
The CAS number of RefChem:204147 is 106087-39-2.
What is the molecular formula of RefChem:204147?
The molecular formula of RefChem:204147 is C21H27N7O3.
What is the molecular weight of RefChem:204147?
The molecular weight of RefChem:204147 is 425.22 g/mol.
Where can I buy RefChem:204147?
You can request a quote for RefChem:204147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:204147?
Yes, KEHONG BIO provides custom synthesis services for RefChem:204147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.