ChemDiv2_005589
TL;DR: ChemDiv2_005589 (CAS 442644-62-4) 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-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
Also Known As: ChemDiv2_005589, IDI1_004304, 8-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-7-phenyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, A2733/0116037, 6-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
| Molecular Formula | C23H21N5O3 |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.087 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.16443 |
| Heavy Atoms | 31 |
| Complexity | 1524.8286 |
Chemical Identifiers
| CAS Number | 442644-62-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC(C4=CC=CC=C4)O)C5=CC=CC=C5 |
Product Overview
ChemDiv2_005589 (CAS 442644-62-4), with molecular formula C23H21N5O3 and molecular weight 415.16 g/mol. IUPAC: 6-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione.
Chemical Property Profile of ChemDiv2_005589
Property Insights of ChemDiv2_005589
The XLogP value of 2.087 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005589. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005589. Following Lipinski's Rule of Five, ChemDiv2_005589 has 1 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 ChemDiv2_005589?
The CAS number of ChemDiv2_005589 is 442644-62-4.
What is the molecular formula of ChemDiv2_005589?
The molecular formula of ChemDiv2_005589 is C23H21N5O3.
What is the molecular weight of ChemDiv2_005589?
The molecular weight of ChemDiv2_005589 is 415.16 g/mol.
Where can I buy ChemDiv2_005589?
You can request a quote for ChemDiv2_005589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005589?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.