ChemDiv1_028054
TL;DR: ChemDiv1_028054 (CAS 384860-95-1) is a chemical compound with molecular formula C20H16ClN5O3 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-chlorophenyl)-6-(furan-2-ylmethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: ChemDiv1_028054, A2521/0107129, 7-(4-chlorophenyl)-8-(furan-2-ylmethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, 7-(4-chlorophenyl)-6-(furan-2-ylmethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione, 7-(4-chlorophenyl)-8-(2-furylmethyl)-1,3-dimethyl-1,3,5-trihydro-4-imidazolino [1,2-h]purine-2,4-dione
| Molecular Formula | C20H16ClN5O3 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 2.6481 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.09418 |
| Heavy Atoms | 29 |
| Complexity | 1484.2233 |
Chemical Identifiers
| CAS Number | 384860-95-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CO4)C5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_028054 (CAS 384860-95-1), with molecular formula C20H16ClN5O3 and molecular weight 409.09 g/mol. IUPAC: 7-(4-chlorophenyl)-6-(furan-2-ylmethyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ChemDiv1_028054
Property Insights of ChemDiv1_028054
The XLogP value of 2.6481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028054. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028054. Following Lipinski's Rule of Five, ChemDiv1_028054 has 0 hydrogen bond donor(s) and 4 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_028054?
The CAS number of ChemDiv1_028054 is 384860-95-1.
What is the molecular formula of ChemDiv1_028054?
The molecular formula of ChemDiv1_028054 is C20H16ClN5O3.
What is the molecular weight of ChemDiv1_028054?
The molecular weight of ChemDiv1_028054 is 409.09 g/mol.
Where can I buy ChemDiv1_028054?
You can request a quote for ChemDiv1_028054 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028054?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028054 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.