![Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- structure](/static/products/393/393856-07-0.png)
Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-
TL;DR: Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- (CAS 393856-07-0) is a chemical compound with molecular formula C18H14N4O and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol
Also Known As: 4-[[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol, Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-, 4-{[2-Amino-5-(phenylethynyl)pyrimidin-4-yl]amino}phenol, Phenol,4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]
| Molecular Formula | C18H14N4O |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 2.9078 |
| Topological Polar Surface Area | 84.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.11676 |
| Heavy Atoms | 23 |
| Complexity | 865.0186 |
Chemical Identifiers
| CAS Number | 393856-07-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C#CC2=CN=C(N=C2NC3=CC=C(C=C3)O)N |
Product Overview
Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- (CAS 393856-07-0), with molecular formula C18H14N4O and molecular weight 302.12 g/mol. IUPAC: 4-[[2-amino-5-(2-phenylethynyl)pyrimidin-4-yl]amino]phenol.
Chemical Property Profile of Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-
Property Insights of Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-
The XLogP value of 2.9078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-. The TPSA of 84.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-. Following Lipinski's Rule of Five, Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- 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 Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-?
The CAS number of Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- is 393856-07-0.
What is the molecular formula of Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-?
The molecular formula of Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- is C18H14N4O.
What is the molecular weight of Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-?
The molecular weight of Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- is 302.12 g/mol.
Where can I buy Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-?
You can request a quote for Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-[[2-amino-5-(phenylethynyl)-4-pyrimidinyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.