Gpr88-IN-1
TL;DR: Gpr88-IN-1 (CAS 714265-50-6) is a chemical compound with molecular formula C25H28N4O2 and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-benzylanilino)-2-(cyclohexylmethylamino)pyrimidine-5-carboxylic acid
Also Known As: GPR88-IN-1, EX-A8830, 4-((2-Benzylphenyl)amino)-2-((cyclohexylmethyl)amino)pyrimidine-5-carboxylic acid, 4-[(2-benzylphenyl)amino]-2-(cyclohexylmethylamino)pyrimidine-5-carboxylic Acid
| Molecular Formula | C25H28N4O2 |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 5.5014 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.22122 |
| Heavy Atoms | 31 |
| Complexity | 1017.0404 |
Chemical Identifiers
| CAS Number | 714265-50-6 |
|---|---|
| SMILES | C1CCC(CC1)CNC2=NC=C(C(=N2)NC3=CC=CC=C3CC4=CC=CC=C4)C(=O)O |
Product Overview
Gpr88-IN-1 (CAS 714265-50-6), with molecular formula C25H28N4O2 and molecular weight 416.22 g/mol. IUPAC: 4-(2-benzylanilino)-2-(cyclohexylmethylamino)pyrimidine-5-carboxylic acid.
Chemical Property Profile of Gpr88-IN-1
Property Insights of Gpr88-IN-1
The XLogP value of 5.5014 indicates that Gpr88-IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Gpr88-IN-1. Following Lipinski's Rule of Five, Gpr88-IN-1 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gpr88-IN-1?
The CAS number of Gpr88-IN-1 is 714265-50-6.
What is the molecular formula of Gpr88-IN-1?
The molecular formula of Gpr88-IN-1 is C25H28N4O2.
What is the molecular weight of Gpr88-IN-1?
The molecular weight of Gpr88-IN-1 is 416.22 g/mol.
Where can I buy Gpr88-IN-1?
You can request a quote for Gpr88-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gpr88-IN-1?
Yes, KEHONG BIO provides custom synthesis services for Gpr88-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.