ChemDiv1_005806
TL;DR: ChemDiv1_005806 (CAS 332117-31-4) is a chemical compound with molecular formula C22H21N5O4 and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylmethoxyphenyl)acetamide
Also Known As: ChemDiv1_005806, BAS 01129945, BIM-0035817.P001, VU0489264-1, N-[4-(benzyloxy)phenyl]-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
| Molecular Formula | C22H21N5O4 |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 1.6514 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.15936 |
| Heavy Atoms | 31 |
| Complexity | 1351.173 |
Chemical Identifiers
| CAS Number | 332117-31-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
ChemDiv1_005806 (CAS 332117-31-4), with molecular formula C22H21N5O4 and molecular weight 419.16 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenylmethoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_005806
Property Insights of ChemDiv1_005806
The XLogP value of 1.6514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005806. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005806. Following Lipinski's Rule of Five, ChemDiv1_005806 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 ChemDiv1_005806?
The CAS number of ChemDiv1_005806 is 332117-31-4.
What is the molecular formula of ChemDiv1_005806?
The molecular formula of ChemDiv1_005806 is C22H21N5O4.
What is the molecular weight of ChemDiv1_005806?
The molecular weight of ChemDiv1_005806 is 419.16 g/mol.
Where can I buy ChemDiv1_005806?
You can request a quote for ChemDiv1_005806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005806?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.