Phthalofyne
TL;DR: Phthalofyne (CAS 131-67-9) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid
Also Known As: Ftalofyne, PHTHALOFYNE, Whipcide, Methalofyne, Ftalofynum
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 131-67-9 |
|---|---|
| SMILES | CCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | CZGIRAWWWHPJHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phthalofyne (CAS 131-67-9), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: 2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid.
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
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 246.09 g/mol.
Where can I buy Phthalofyne?
You can request a quote for Phthalofyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phthalofyne?
Yes, KEHONG BIO provides custom synthesis services for Phthalofyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.