2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine
TL;DR: 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine (CAS 393856-87-6) is a chemical compound with molecular formula C18H19ClN4O and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
Also Known As: KP 544 (neuroprotectant), KP 544, KP544 cpd, CXB909, 2-Amino-5-(4-chlorophenylethynyl)-4-(trans-4-hydroxycyclohexylamino)pyrimidine
| Molecular Formula | C18H19ClN4O |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 2.8274 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.12473 |
| Heavy Atoms | 24 |
| Complexity | 758.8236 |
Chemical Identifiers
| CAS Number | 393856-87-6 |
|---|---|
| SMILES | C1CC(CCC1NC2=NC(=NC=C2C#CC3=CC=C(C=C3)Cl)N)O |
Product Overview
2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine (CAS 393856-87-6), with molecular formula C18H19ClN4O and molecular weight 342.12 g/mol. IUPAC: 4-[[2-amino-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclohexan-1-ol.
Chemical Property Profile of 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine
Property Insights of 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine
The XLogP value of 2.8274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine. The TPSA of 84.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine. Following Lipinski's Rule of Five, 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine has 3 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 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine?
The CAS number of 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine is 393856-87-6.
What is the molecular formula of 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine?
The molecular formula of 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine is C18H19ClN4O.
What is the molecular weight of 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine?
The molecular weight of 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine is 342.12 g/mol.
Where can I buy 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine?
You can request a quote for 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-(4-chlorophenylethynyl)-4-(4-hydroxycyclohexylamino)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.