4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid
TL;DR: 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid (CAS 33233-67-9) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
Also Known As: Boc-4-Amb-OH, 4-(Boc-aminomethyl)benzoic acid, 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid, Boc-Pamb-OH, 4-[(tert-Butoxycarbonylamino)methyl]benzoic acid
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.4095 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 431.29962 |
Chemical Identifiers
| CAS Number | 33233-67-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)O |
Product Overview
4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid (CAS 33233-67-9), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid.
Chemical Property Profile of 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid
Property Insights of 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid
The XLogP value of 2.4095 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((tert-Butoxycarbonyl)amino)methyl)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 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid?
The CAS number of 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid is 33233-67-9.
What is the molecular formula of 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid?
The molecular formula of 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid is C13H17NO4.
What is the molecular weight of 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid?
The molecular weight of 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid is 251.12 g/mol.
Where can I buy 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid?
You can request a quote for 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((tert-Butoxycarbonyl)amino)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.