![Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate structure](/static/products/159/159279-96-6.webp)
Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate
TL;DR: Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate (CAS 159279-96-6) is a chemical compound with molecular formula C14H10O4 and molecular weight 242.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate
Also Known As: (1,3-Phenylene)bis(propiolic acid methyl) ester, methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate, 2-Propynoic acid, 3,3'-(1,3-phenylene)bis-, dimethyl ester (, METHYL 3-[3-(3-METHOXY-3-OXOPROP-1-YN-1-YL)PHENYL]PROP-2-YNOATE
Technical Specifications
| Molecular Formula | C14H10O4 |
| Molecular Weight | 242.0579 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0579 Da |
| Heavy Atoms | 18 |
| Complexity | 409.0 |
| SMILES | COC(=O)C#CC1=CC(=CC=C1)C#CC(=O)OC |
| InChIKey | OVMXEACALHDPMH-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate
Property Insights of Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate 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
What is the CAS number of Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate?
The CAS number of Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate is 159279-96-6.
What is the molecular formula of Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate?
The molecular formula of Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate is C14H10O4.
What is the molecular weight of Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate?
The molecular weight of Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate is 242.0579 g/mol.
Where can I buy Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate?
You can request a quote for Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-[3-(3-methoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.