Phthalofyne
TL;DR: Phthalofyne (CAS 131-67-9) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid
Also Known As: Ftalofyne, PHTHALOFYNE, Whipcide, Methalofyne, Ftalofynum
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H14O4 |
| Molecular Weight | 246.0892 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.0892 Da |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
| SMILES | CCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | CZGIRAWWWHPJHM-UHFFFAOYSA-N |
Product Description
Applications: Phthalofyne is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Phthalofyne (CAS 131-67-9) is a pharmaceutical intermediate with the molecular formula C14H14O4 and a molecular weight of 246.09 g/mol. Synonyms include Ftalofyne and PHTHALOFYNE.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phthalofyne
Property Insights of Phthalofyne
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phthalofyne. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phthalofyne. Following Lipinski's Rule of Five, Phthalofyne has 1 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 Phthalofyne?
The CAS number of Phthalofyne is 131-67-9.
What is the molecular formula of Phthalofyne?
The molecular formula of Phthalofyne is C14H14O4.
What is the molecular weight of Phthalofyne?
The molecular weight of Phthalofyne is 246.0892 g/mol.
What are the applications of Phthalofyne?
Phthalofyne is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Phthalofyne?
You can request a quote for Phthalofyne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phthalofyne?
Yes, CoreyChem provides custom synthesis services for Phthalofyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.