IC 87114
TL;DR: IC 87114 (CAS 571-70-0) is a chemical compound with molecular formula C22H19N7O and molecular weight 397.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Also Known As: 2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one, BiomolKI2_000002, 2x38, IC87114,PIK-293, s1268
| Molecular Formula | C22H19N7O |
|---|---|
| Molecular Weight | 397.17 g/mol |
| LogP | 2.77274 |
| Topological Polar Surface Area | 104.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.1651 |
| Heavy Atoms | 30 |
| Complexity | 1482.6735 |
Chemical Identifiers
| CAS Number | 571-70-0 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C=NC5=C(N=CN=C54)N |
Product Overview
IC 87114 (CAS 571-70-0), with molecular formula C22H19N7O and molecular weight 397.17 g/mol. IUPAC: 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one.
Chemical Property Profile of IC 87114
Property Insights of IC 87114
The XLogP value of 2.77274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IC 87114. The TPSA of 104.51 Ų falls within the moderate polarity range, balancing permeability and solubility for IC 87114. Following Lipinski's Rule of Five, IC 87114 has 1 hydrogen bond donor(s) and 6 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 IC 87114?
The CAS number of IC 87114 is 571-70-0.
What is the molecular formula of IC 87114?
The molecular formula of IC 87114 is C22H19N7O.
What is the molecular weight of IC 87114?
The molecular weight of IC 87114 is 397.17 g/mol.
Where can I buy IC 87114?
You can request a quote for IC 87114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IC 87114?
Yes, KEHONG BIO provides custom synthesis services for IC 87114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.