丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯
TL;DR: 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 (CAS 185444-95-5) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯
prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate
Also Known As: CDD 0097, prop-2-yn-1-yl 1,4,5,6-tetrahydropyrimidine-5-carboxylate, Prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate, 2-Propyn-1-yl 1,4,5,6-tetrahydro-5-pyrimidinecarboxylate, 1,4,5,6-Tetrahydro-5-pyrimidinecarboxylic acid 2-propynyl ester
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 185444-95-5 |
|---|---|
| SMILES | C#CCOC(=O)C1CNC=NC1 |
| InChIKey | KEBHGVXTLDRPHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 (CAS 185444-95-5), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: prop-2-ynyl 1,4,5,6-tetrahydropyrimidine-5-carboxylate.
Chemical Property Profile of 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯
Property Insights of 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯
The XLogP value of -0.8 indicates that 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.7 Ų, 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 has 1 hydrogen bond donor(s) and 3 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 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯?
The CAS number of 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 is 185444-95-5.
What is the molecular formula of 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯?
The molecular formula of 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 is C8H10N2O2.
What is the molecular weight of 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯?
The molecular weight of 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 is 166.07 g/mol.
Where can I buy 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯?
You can request a quote for 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丙-2-炔-1-基-1,4,5,6-四氢嘧啶-5-甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.