2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid
TL;DR: 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid (CAS 669713-65-9) is a chemical compound with molecular formula C18H19NO4 and molecular weight 313.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]benzoic acid
Also Known As: n-boc-n-phenylanthranilic acid, 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid, anthranilic acid, n-boc-n-phenyl, Anthranilicacid,N-Boc-N-phenyl, 2-((tert-Butoxycarbonyl)(phenyl)amino)benzoic acid
| Molecular Formula | C18H19NO4 |
|---|---|
| Molecular Weight | 313.13 g/mol |
| LogP | 4.458 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.1314 |
| Heavy Atoms | 23 |
| Complexity | 704.46155 |
Chemical Identifiers
| CAS Number | 669713-65-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2C(=O)O |
Product Overview
2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid (CAS 669713-65-9), with molecular formula C18H19NO4 and molecular weight 313.13 g/mol. IUPAC: 2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]benzoic acid.
Chemical Property Profile of 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid
Property Insights of 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid
The XLogP value of 4.458 indicates that 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid. Following Lipinski's Rule of Five, 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid has 1 hydrogen bond donor(s) and 3 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 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid?
The CAS number of 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid is 669713-65-9.
What is the molecular formula of 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid?
The molecular formula of 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid is C18H19NO4.
What is the molecular weight of 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid?
The molecular weight of 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid is 313.13 g/mol.
Where can I buy 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid?
You can request a quote for 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.