2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid
TL;DR: 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid (CAS 122744-78-9) is a chemical compound with molecular formula C14H19NO6 and molecular weight 297.12125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Also Known As: n-boc-4,5-dimethoxyanthranilic acid, 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid, 2-tert-Butoxycarbonylamino-4,5-dimethoxy-benzoic acid, boc-2-amino-4,5-dimethoxybenzoic acid, 4326AA
Technical Specifications
| Molecular Formula | C14H19NO6 |
| Molecular Weight | 297.12125 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.12125 Da |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
| SMILES | CC(C)(C)OC(=O)NC1=CC(=C(C=C1C(=O)O)OC)OC |
| InChIKey | ZXNOFBMUVBIGOE-UHFFFAOYSA-N |
Chemical Property Profile of 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid
Property Insights of 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid. Following Lipinski's Rule of Five, 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid has 2 hydrogen bond donor(s) and 6 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-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid?
The CAS number of 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid is 122744-78-9.
What is the molecular formula of 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid?
The molecular formula of 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid is C14H19NO6.
What is the molecular weight of 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid?
The molecular weight of 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid is 297.12125 g/mol.
Where can I buy 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid?
You can request a quote for 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((tert-Butoxycarbonyl)amino)-4,5-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.