4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester
TL;DR: 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester (CAS 133690-73-0) is a chemical compound with molecular formula C18H21NO2 and molecular weight 283.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[4-(aminomethyl)phenyl]benzoate
Also Known As: 4-Aminomethyl-2'-t-butoxycarbonylbiphenyl, Tert-butyl 2-[4-(aminomethyl)phenyl]benzoate, 4'-(AMINOMETHYL)-BIPHENYL-2-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER, 4-Aminomethyl-2'-(t-butoxycarbonyl)biphenyl, 4-aminomethyl-2'-tert-butoxycarbonylbiphenyl
| Molecular Formula | C18H21NO2 |
|---|---|
| Molecular Weight | 283.16 g/mol |
| LogP | 3.7676 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.15723 |
| Heavy Atoms | 21 |
| Complexity | 624.41174 |
Chemical Identifiers
| CAS Number | 133690-73-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN |
Product Overview
4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester (CAS 133690-73-0), with molecular formula C18H21NO2 and molecular weight 283.16 g/mol. IUPAC: tert-butyl 2-[4-(aminomethyl)phenyl]benzoate.
Chemical Property Profile of 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester
Property Insights of 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester
The XLogP value of 3.7676 indicates that 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester 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 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester?
The CAS number of 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester is 133690-73-0.
What is the molecular formula of 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester?
The molecular formula of 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester is C18H21NO2.
What is the molecular weight of 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester?
The molecular weight of 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester is 283.16 g/mol.
Where can I buy 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester?
You can request a quote for 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4'-(Aminomethyl)-biphenyl-2-carboxylic acid 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.