ACID
TL;DR: ACID (CAS 1227844-93-0) is a chemical compound with molecular formula C17H20F3NO4 and molecular weight 359.13443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
Also Known As: ACID, 3-(2-Methylphenoxy)benzoic acid, (3R,4S)-1-[(tert-butoxy)carbonyl]-4-[4-, (trifluoromethyl)phenyl]pyrrolidine-3-carboxylic, 1-(tert-Butoxycarbonyl)-4-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
Technical Specifications
| Molecular Formula | C17H20F3NO4 |
| Molecular Weight | 359.13443 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.13443 Da |
| Heavy Atoms | 25 |
| Complexity | 507.0 |
| SMILES | CC(C)(C)OC(=O)N1CC(C(C1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F |
| InChIKey | QCXSJRUEERTHEK-UHFFFAOYSA-N |
Chemical Property Profile of ACID
Property Insights of ACID
The XLogP value of 3.1 indicates that ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ACID. Following Lipinski's Rule of Five, ACID has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ACID?
The CAS number of ACID is 1227844-93-0.
What is the molecular formula of ACID?
The molecular formula of ACID is C17H20F3NO4.
What is the molecular weight of ACID?
The molecular weight of ACID is 359.13443 g/mol.
Where can I buy ACID?
You can request a quote for ACID directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ACID?
Yes, CoreyChem provides custom synthesis services for ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.