ChemDiv1_021514
TL;DR: ChemDiv1_021514 (CAS 299923-23-2) is a chemical compound with molecular formula C22H17N5O4 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Also Known As: ChemDiv1_021514, BAS 02286899, 8-(1,3-benzodioxol-5-yl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, A2235/0094064, 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C22H17N5O4 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 2.0713 |
| Topological Polar Surface Area | 84.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 415.12805 |
| Heavy Atoms | 31 |
| Complexity | 1621.783 |
Chemical Identifiers
| CAS Number | 299923-23-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6 |
Product Overview
ChemDiv1_021514 (CAS 299923-23-2), with molecular formula C22H17N5O4 and molecular weight 415.13 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ChemDiv1_021514
Property Insights of ChemDiv1_021514
The XLogP value of 2.0713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021514. The TPSA of 84.69 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021514. Following Lipinski's Rule of Five, ChemDiv1_021514 has 0 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_021514?
The CAS number of ChemDiv1_021514 is 299923-23-2.
What is the molecular formula of ChemDiv1_021514?
The molecular formula of ChemDiv1_021514 is C22H17N5O4.
What is the molecular weight of ChemDiv1_021514?
The molecular weight of ChemDiv1_021514 is 415.13 g/mol.
Where can I buy ChemDiv1_021514?
You can request a quote for ChemDiv1_021514 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021514?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021514 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.