ChemDiv3_012056
TL;DR: ChemDiv3_012056 (CAS 877616-34-7) is a chemical compound with molecular formula C20H24N6O3 and molecular weight 396.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide
Also Known As: ChemDiv3_012056, BRD-A79869636-001-01-1, 2-[1,7-Dimethyl-2,4-dioxo-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide, 2-(1,7-dimethyl-2,4-dioxo-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl)acetamide, 2-[1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-1,3,5-trihydro-6H,7H,8H-1,3-diazap erhydroino[1,2-h]purin-3-yl]acetamide
| Molecular Formula | C20H24N6O3 |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 0.0808 |
| Topological Polar Surface Area | 108.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.19098 |
| Heavy Atoms | 29 |
| Complexity | 1190.8774 |
Chemical Identifiers
| CAS Number | 877616-34-7 |
|---|---|
| SMILES | CC1CN(C2=NC3=C(N2C1)C(=O)N(C(=O)N3C)CC(=O)N)CCC4=CC=CC=C4 |
Product Overview
ChemDiv3_012056 (CAS 877616-34-7), with molecular formula C20H24N6O3 and molecular weight 396.19 g/mol. IUPAC: 2-[1,7-dimethyl-2,4-dioxo-9-(2-phenylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidin-3-yl]acetamide.
Chemical Property Profile of ChemDiv3_012056
Property Insights of ChemDiv3_012056
The XLogP value of 0.0808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_012056. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_012056. Following Lipinski's Rule of Five, ChemDiv3_012056 has 1 hydrogen bond donor(s) and 5 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_012056?
The CAS number of ChemDiv3_012056 is 877616-34-7.
What is the molecular formula of ChemDiv3_012056?
The molecular formula of ChemDiv3_012056 is C20H24N6O3.
What is the molecular weight of ChemDiv3_012056?
The molecular weight of ChemDiv3_012056 is 396.19 g/mol.
Where can I buy ChemDiv3_012056?
You can request a quote for ChemDiv3_012056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012056?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.