Prop-2-ynyl pyrimidine-4-carboxylate
TL;DR: Prop-2-ynyl pyrimidine-4-carboxylate (CAS 887582-76-5) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-ynyl pyrimidine-4-carboxylate
Also Known As: prop-2-ynyl pyrimidine-4-carboxylate, 2-Propyn-1-yl 4-pyrimidinecarboxylate, prop-2-yn-1-yl pyrimidine-4-carboxylate
| Molecular Formula | C8H6N2O2 |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 0.2666 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.04292 |
| Heavy Atoms | 12 |
| Complexity | 302.58395 |
Chemical Identifiers
| CAS Number | 887582-76-5 |
|---|---|
| SMILES | C#CCOC(=O)C1=NC=NC=C1 |
Product Overview
Prop-2-ynyl pyrimidine-4-carboxylate (CAS 887582-76-5), with molecular formula C8H6N2O2 and molecular weight 162.04 g/mol. IUPAC: prop-2-ynyl pyrimidine-4-carboxylate.
Chemical Property Profile of Prop-2-ynyl pyrimidine-4-carboxylate
Property Insights of Prop-2-ynyl pyrimidine-4-carboxylate
The XLogP value of 0.2666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-ynyl pyrimidine-4-carboxylate. With a topological polar surface area (TPSA) of 52.08 Ų, Prop-2-ynyl pyrimidine-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-ynyl pyrimidine-4-carboxylate has 0 hydrogen bond donor(s) and 4 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 Prop-2-ynyl pyrimidine-4-carboxylate?
The CAS number of Prop-2-ynyl pyrimidine-4-carboxylate is 887582-76-5.
What is the molecular formula of Prop-2-ynyl pyrimidine-4-carboxylate?
The molecular formula of Prop-2-ynyl pyrimidine-4-carboxylate is C8H6N2O2.
What is the molecular weight of Prop-2-ynyl pyrimidine-4-carboxylate?
The molecular weight of Prop-2-ynyl pyrimidine-4-carboxylate is 162.04 g/mol.
Where can I buy Prop-2-ynyl pyrimidine-4-carboxylate?
You can request a quote for Prop-2-ynyl pyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-ynyl pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-ynyl pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.