ChemDiv3_012221
TL;DR: ChemDiv3_012221 (CAS 872838-87-4) is a chemical compound with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-methyl-1,3-dioxo-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl)acetate
Also Known As: ChemDiv3_012221, BRD-K20234674-001-01-9, methyl (1-methyl-2,4-dioxo-8-phenyl-1,2,4,6,7,8-hexahydro-3H-imidazo[2,1-f]purin-3-yl)acetate, methyl 2-(4-methyl-1,3-dioxo-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl)acetate, methyl 2-(1-methyl-2,4-dioxo-8-phenyl-7,8-dihydro-1H-imidazo[2,1-f]purin-3(2H,4H,6H)-yl)acetate
| Molecular Formula | C17H17N5O4 |
|---|---|
| Molecular Weight | 355.13 g/mol |
| LogP | 0.2214 |
| Topological Polar Surface Area | 91.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.12805 |
| Heavy Atoms | 26 |
| Complexity | 1125.9912 |
Chemical Identifiers
| CAS Number | 872838-87-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N3CCN(C3=N2)C4=CC=CC=C4 |
Product Overview
ChemDiv3_012221 (CAS 872838-87-4), with molecular formula C17H17N5O4 and molecular weight 355.13 g/mol. IUPAC: methyl 2-(4-methyl-1,3-dioxo-6-phenyl-7,8-dihydropurino[7,8-a]imidazol-2-yl)acetate.
Chemical Property Profile of ChemDiv3_012221
Property Insights of ChemDiv3_012221
The XLogP value of 0.2214 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012221. The TPSA of 91.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012221. Following Lipinski's Rule of Five, ChemDiv3_012221 has 0 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 ChemDiv3_012221?
The CAS number of ChemDiv3_012221 is 872838-87-4.
What is the molecular formula of ChemDiv3_012221?
The molecular formula of ChemDiv3_012221 is C17H17N5O4.
What is the molecular weight of ChemDiv3_012221?
The molecular weight of ChemDiv3_012221 is 355.13 g/mol.
Where can I buy ChemDiv3_012221?
You can request a quote for ChemDiv3_012221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012221?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.