丙炔酸甲酯
TL;DR: 丙炔酸甲酯 (CAS 922-67-8) is a chemical compound with molecular formula C4H4O2 and molecular weight 84.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙炔酸甲酯
methyl prop-2-ynoate
Also Known As: METHYL PROPIOLATE, methyl prop-2-ynoate, Methyl propynoate, Methyl acetylenecarboxylate, 2-Propynoic acid, methyl ester
| Molecular Formula | C4H4O2 |
|---|---|
| Molecular Weight | 84.02 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.021126 |
| Heavy Atoms | 6 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 922-67-8 |
|---|---|
| SMILES | COC(=O)C#C |
| InChIKey | IMAKHNTVDGLIRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙炔酸甲酯 (CAS 922-67-8), with molecular formula C4H4O2 and molecular weight 84.02 g/mol. IUPAC: methyl prop-2-ynoate.
Chemical Property Profile of 丙炔酸甲酯
Property Insights of 丙炔酸甲酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙炔酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 丙炔酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙炔酸甲酯 has 0 hydrogen bond donor(s) and 2 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 丙炔酸甲酯?
The CAS number of 丙炔酸甲酯 is 922-67-8.
What is the molecular formula of 丙炔酸甲酯?
The molecular formula of 丙炔酸甲酯 is C4H4O2.
What is the molecular weight of 丙炔酸甲酯?
The molecular weight of 丙炔酸甲酯 is 84.02 g/mol.
Where can I buy 丙炔酸甲酯?
You can request a quote for 丙炔酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙炔酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 丙炔酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.