2-(Boc-amino)methyl-4-chloro-benzoic acid
TL;DR: 2-(Boc-amino)methyl-4-chloro-benzoic acid (CAS 73292-93-0) is a chemical compound with molecular formula C13H16ClNO4 and molecular weight 285.08 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]methyl]benzoic acid
Also Known As: 2-(boc-amino)methyl-4-chloro-benzoic acid, 2-[(Boc-amino)methyl]-4-chlorobenzoic Acid, 4'-hydroxylosthole pound>>E-Methylarnottinin, 2-(((tert-Butoxycarbonyl)amino)methyl)-4-chlorobenzoic acid, 4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic Acid
| Molecular Formula | C13H16ClNO4 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | 3.0629 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.07678 |
| Heavy Atoms | 19 |
| Complexity | 493.90686 |
Chemical Identifiers
| CAS Number | 73292-93-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=C(C=CC(=C1)Cl)C(=O)O |
Product Overview
2-(Boc-amino)methyl-4-chloro-benzoic acid (CAS 73292-93-0), with molecular formula C13H16ClNO4 and molecular weight 285.08 g/mol. IUPAC: 4-chloro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid.
Chemical Property Profile of 2-(Boc-amino)methyl-4-chloro-benzoic acid
Property Insights of 2-(Boc-amino)methyl-4-chloro-benzoic acid
The XLogP value of 3.0629 indicates that 2-(Boc-amino)methyl-4-chloro-benzoic 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-(Boc-amino)methyl-4-chloro-benzoic acid. Following Lipinski's Rule of Five, 2-(Boc-amino)methyl-4-chloro-benzoic 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-(Boc-amino)methyl-4-chloro-benzoic acid?
The CAS number of 2-(Boc-amino)methyl-4-chloro-benzoic acid is 73292-93-0.
What is the molecular formula of 2-(Boc-amino)methyl-4-chloro-benzoic acid?
The molecular formula of 2-(Boc-amino)methyl-4-chloro-benzoic acid is C13H16ClNO4.
What is the molecular weight of 2-(Boc-amino)methyl-4-chloro-benzoic acid?
The molecular weight of 2-(Boc-amino)methyl-4-chloro-benzoic acid is 285.08 g/mol.
Where can I buy 2-(Boc-amino)methyl-4-chloro-benzoic acid?
You can request a quote for 2-(Boc-amino)methyl-4-chloro-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-(Boc-amino)methyl-4-chloro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Boc-amino)methyl-4-chloro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.