ChemDiv1_027850
TL;DR: ChemDiv1_027850 (CAS 442869-87-6) is a chemical compound with molecular formula C23H21N5O3 and molecular weight 415.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzyl-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
Also Known As: ChemDiv1_027850, 8-benzyl-7-(3-methoxyphenyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, A2559/0109010, 7-(3-methoxyphenyl)-1,3-dimethyl-8-benzyl-1,3,5-trihydro-4-imidazolino[1,2-h]p urine-2,4-dione, 8-BENZYL-7-(3-METHOXYPHENYL)-1,3-DIMETHYL-1H,2H,3H,4H,8H-IMIDAZO[1,2-G]PURINE-2,4-DIONE
| Molecular Formula | C23H21N5O3 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.4103 |
| Topological Polar Surface Area | 75.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.16443 |
| Heavy Atoms | 31 |
| Complexity | 1553.9805 |
Chemical Identifiers
| CAS Number | 442869-87-6 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4)C5=CC(=CC=C5)OC |
Product Overview
ChemDiv1_027850 (CAS 442869-87-6), with molecular formula C23H21N5O3 and molecular weight 415.16 g/mol. IUPAC: 6-benzyl-7-(3-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ChemDiv1_027850
Property Insights of ChemDiv1_027850
The XLogP value of 2.4103 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027850. The TPSA of 75.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027850. Following Lipinski's Rule of Five, ChemDiv1_027850 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_027850?
The CAS number of ChemDiv1_027850 is 442869-87-6.
What is the molecular formula of ChemDiv1_027850?
The molecular formula of ChemDiv1_027850 is C23H21N5O3.
What is the molecular weight of ChemDiv1_027850?
The molecular weight of ChemDiv1_027850 is 415.16 g/mol.
Where can I buy ChemDiv1_027850?
You can request a quote for ChemDiv1_027850 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027850?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027850 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.