2-Furoic acid, 1,1,1-trichloroisopropyl ester
TL;DR: 2-Furoic acid, 1,1,1-trichloroisopropyl ester (CAS 63938-12-5) is a chemical compound with molecular formula C8H7Cl3O3 and molecular weight 255.94608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3-trichloropropan-2-yl furan-2-carboxylate
Also Known As: Trichloroisopropyl 2-furoate, 1,2,3-trichloropropan-2-yl furan-2-carboxylate, KST-1B6961, C10H21N.1/2H2O4S, 2-Furoic acid, ester with trichloroisopropanol
Technical Specifications
| Molecular Formula | C8H7Cl3O3 |
| Molecular Weight | 255.94608 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.94608 Da |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
| SMILES | C1=COC(=C1)C(=O)OC(CCl)(CCl)Cl |
| InChIKey | ZQXXYHHJBRXGRQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Furoic acid, 1,1,1-trichloroisopropyl ester
Property Insights of 2-Furoic acid, 1,1,1-trichloroisopropyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furoic acid, 1,1,1-trichloroisopropyl ester. With a topological polar surface area (TPSA) of 39.4 Ų, 2-Furoic acid, 1,1,1-trichloroisopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furoic acid, 1,1,1-trichloroisopropyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Furoic acid, 1,1,1-trichloroisopropyl ester?
The CAS number of 2-Furoic acid, 1,1,1-trichloroisopropyl ester is 63938-12-5.
What is the molecular formula of 2-Furoic acid, 1,1,1-trichloroisopropyl ester?
The molecular formula of 2-Furoic acid, 1,1,1-trichloroisopropyl ester is C8H7Cl3O3.
What is the molecular weight of 2-Furoic acid, 1,1,1-trichloroisopropyl ester?
The molecular weight of 2-Furoic acid, 1,1,1-trichloroisopropyl ester is 255.94608 g/mol.
Where can I buy 2-Furoic acid, 1,1,1-trichloroisopropyl ester?
You can request a quote for 2-Furoic acid, 1,1,1-trichloroisopropyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Furoic acid, 1,1,1-trichloroisopropyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Furoic acid, 1,1,1-trichloroisopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.