InSolution™ PD 158780
TL;DR: InSolution™ PD 158780 (CAS 171179-06-9) is a chemical compound with molecular formula C14H12BrN5 and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
InSolution™ PD 158780
4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
Also Known As: pd 158780, N4-(3-bromophenyl)-N6-methylpyrido[3,4-d]pyrimidine-4,6-diamine, InSolution™ PD 158780, KFHMLBXBRCITHF-UHFFFAOYSA-, 4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine
| Molecular Formula | C14H12BrN5 |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.02762 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 171179-06-9 |
|---|---|
| SMILES | CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br |
| InChIKey | KFHMLBXBRCITHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
InSolution™ PD 158780 (CAS 171179-06-9), with molecular formula C14H12BrN5 and molecular weight 329.03 g/mol. IUPAC: 4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine.
Chemical Property Profile of InSolution™ PD 158780
Property Insights of InSolution™ PD 158780
The XLogP value of 3.4 indicates that InSolution™ PD 158780 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for InSolution™ PD 158780. Following Lipinski's Rule of Five, InSolution™ PD 158780 has 2 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 InSolution™ PD 158780?
The CAS number of InSolution™ PD 158780 is 171179-06-9.
What is the molecular formula of InSolution™ PD 158780?
The molecular formula of InSolution™ PD 158780 is C14H12BrN5.
What is the molecular weight of InSolution™ PD 158780?
The molecular weight of InSolution™ PD 158780 is 329.03 g/mol.
Where can I buy InSolution™ PD 158780?
You can request a quote for InSolution™ PD 158780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for InSolution™ PD 158780?
Yes, KEHONG BIO provides custom synthesis services for InSolution™ PD 158780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.