4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid
TL;DR: 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid (CAS 489446-42-6) is a chemical compound with molecular formula C12H18BNO4 and molecular weight 251.13 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]phenyl]boronic acid
Also Known As: 4-(N-Boc-aminomethyl)phenylboronic acid, 4-((N-Boc-amino)methyl)phenylboronic acid, (4-(((tert-Butoxycarbonyl)amino)methyl)phenyl)boronic acid, 4-[(N-BOC-Amino)methyl]phenylboronic acid, 4-N-(BOC)aminomethylphenylboronic acid
| Molecular Formula | C12H18BNO4 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 0.3911 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.13289 |
| Heavy Atoms | 18 |
| Complexity | 397.5336 |
Chemical Identifiers
| CAS Number | 489446-42-6 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)CNC(=O)OC(C)(C)C)(O)O |
Product Overview
4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid (CAS 489446-42-6), with molecular formula C12H18BNO4 and molecular weight 251.13 g/mol. IUPAC: [4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid.
Chemical Property Profile of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid
Property Insights of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid
The XLogP value of 0.3911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid. The TPSA of 78.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid. Following Lipinski's Rule of Five, 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid has 3 hydrogen bond donor(s) and 4 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-Butoxycarbonylaminomethyl)phenylboronic acid?
The CAS number of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid is 489446-42-6.
What is the molecular formula of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid?
The molecular formula of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid is C12H18BNO4.
What is the molecular weight of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid?
The molecular weight of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid is 251.13 g/mol.
Where can I buy 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid?
You can request a quote for 4-(tert-Butoxycarbonylaminomethyl)phenylboronic 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-Butoxycarbonylaminomethyl)phenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.