PD 112488
TL;DR: PD 112488 (CAS 89239-93-0) is a chemical compound with molecular formula C12H15N5 and molecular weight 229.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene
Also Known As: 5-Ethyl-1,3,8-trimethyl-1H-imidazo(1,2-c)pyrazolo(3,4-e)pyrimidine, 5-ethyl-1,3,8-trimethyl-1h-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidine, 1H-Imidazo(1,2-c)pyrazolo(3,4-e)pyrimidine, 5-ethyl-1,3,8-trimethyl-, RefChem:170509
| Molecular Formula | C12H15N5 |
|---|---|
| Molecular Weight | 229.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.13275 |
| Heavy Atoms | 17 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 89239-93-0 |
|---|---|
| SMILES | CCC1=NC2=C(C3=NC(=CN13)C)N(N=C2C)C |
| InChIKey | GWSPWPBQMVSEET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PD 112488 (CAS 89239-93-0), with molecular formula C12H15N5 and molecular weight 229.13 g/mol. IUPAC: 8-ethyl-3,5,11-trimethyl-3,4,7,9,12-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2(6),4,7,10-pentaene.
Chemical Property Profile of PD 112488
Property Insights of PD 112488
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PD 112488. With a topological polar surface area (TPSA) of 48.0 Ų, PD 112488 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, PD 112488 has 0 hydrogen bond donor(s) and 3 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 PD 112488?
The CAS number of PD 112488 is 89239-93-0.
What is the molecular formula of PD 112488?
The molecular formula of PD 112488 is C12H15N5.
What is the molecular weight of PD 112488?
The molecular weight of PD 112488 is 229.13 g/mol.
Where can I buy PD 112488?
You can request a quote for PD 112488 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 112488?
Yes, KEHONG BIO provides custom synthesis services for PD 112488 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.