2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid
TL;DR: 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid (CAS 136290-47-6) is a chemical compound with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Also Known As: n-boc-4-chloroanthranilic acid, 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid, anthranilic acid, n-boc-4-chloro, 2-tert-butoxycarbonylamino-4-chlorobenzoic acid, 2-tert-Butoxycarbonylamino-4-chloro-benzoic acid
| Molecular Formula | C12H14ClNO4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 3.3852 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.06113 |
| Heavy Atoms | 18 |
| Complexity | 479.45602 |
Chemical Identifiers
| CAS Number | 136290-47-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(C=CC(=C1)Cl)C(=O)O |
Product Overview
2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid (CAS 136290-47-6), with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol. IUPAC: 4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid.
Chemical Property Profile of 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid
Property Insights of 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid
The XLogP value of 3.3852 indicates that 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid. Following Lipinski's Rule of Five, 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid has 2 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)amino)-4-chlorobenzoic acid?
The CAS number of 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid is 136290-47-6.
What is the molecular formula of 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid?
The molecular formula of 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid is C12H14ClNO4.
What is the molecular weight of 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid?
The molecular weight of 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid is 271.06 g/mol.
Where can I buy 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid?
You can request a quote for 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic 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)amino)-4-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((tert-Butoxycarbonyl)amino)-4-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.