![4-N-(3-溴苯基)-6-N-甲基吡啶并[3,4-d]嘧啶-4,6-二胺 structure](/static/products/1711/171179-06-9.webp)
4-N-(3-溴苯基)-6-N-甲基吡啶并[3,4-d]嘧啶-4,6-二胺
TL;DR: 4-N-(3-溴苯基)-6-N-甲基吡啶并[3,4-d]嘧啶-4,6-二胺 (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.
4-N-(3-溴苯基)-6-N-甲基吡啶并[3,4-d]嘧啶-4,6-二胺
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
4-N-(3-溴苯基)-6-N-甲基吡啶并[3,4-d]嘧啶-4,6-二胺 (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 4-N-(3-溴苯基)-6-N-甲基吡啶并[3,4-d]嘧啶-4,6-二胺
Property Insights of 4-N-(3-溴苯基)-6-N-甲基吡啶并[3,4-d]嘧啶-4,6-二胺
The XLogP value of 3.4 indicates that 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 4-N-(3-溴苯基)-6-N-甲基吡啶并[3,4-d]嘧啶-4,6-二胺. Following Lipinski's Rule of Five, 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 Pd 158780?
The CAS number of Pd 158780 is 171179-06-9.
What is the molecular formula of Pd 158780?
The molecular formula of Pd 158780 is C14H12BrN5.
What is the molecular weight of Pd 158780?
The molecular weight of Pd 158780 is 329.03 g/mol.
Where can I buy Pd 158780?
You can request a quote for Pd 158780 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pd 158780?
Yes, KEHONG BIO provides custom synthesis services for Pd 158780 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.