4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester
TL;DR: 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester (CAS 330794-35-9) is a chemical compound with molecular formula C18H28BNO4 and molecular weight 333.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
Also Known As: tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzylcarbamate, 4-((N-BOC-AMINO)METHYL)PHENYLBORONIC ACID PINACOL ESTER, 4-(N-Boc-aminomethyl)phenylboronic acid pinacol ester, YSZC368, Tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
| Molecular Formula | C18H28BNO4 |
|---|---|
| Molecular Weight | 333.21 g/mol |
| LogP | 3.0105 |
| Topological Polar Surface Area | 56.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.21115 |
| Heavy Atoms | 24 |
| Complexity | 574.0315 |
Chemical Identifiers
| CAS Number | 330794-35-9 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CNC(=O)OC(C)(C)C |
Product Overview
4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester (CAS 330794-35-9), with molecular formula C18H28BNO4 and molecular weight 333.21 g/mol. IUPAC: tert-butyl N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate.
Chemical Property Profile of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester
Property Insights of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester
The XLogP value of 3.0105 indicates that 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.79 Ų, 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester has 1 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, pinacol ester?
The CAS number of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester is 330794-35-9.
What is the molecular formula of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester?
The molecular formula of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester is C18H28BNO4.
What is the molecular weight of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester?
The molecular weight of 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester is 333.21 g/mol.
Where can I buy 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester?
You can request a quote for 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester 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, pinacol ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.