3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide
TL;DR: 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide (CAS 480424-93-9) is a chemical compound with molecular formula C14H20BNO3 and molecular weight 261.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
Also Known As: N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide, 3-Acetamidophenylboronic acid pinacol ester, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide, 3-Acetamidophenylboronic acid, pinacol estet, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
| Molecular Formula | C14H20BNO3 |
|---|---|
| Molecular Weight | 261.15 g/mol |
| LogP | 1.9442 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.15363 |
| Heavy Atoms | 19 |
| Complexity | 483.21936 |
Chemical Identifiers
| CAS Number | 480424-93-9 |
|---|---|
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)C |
Product Overview
3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide (CAS 480424-93-9), with molecular formula C14H20BNO3 and molecular weight 261.15 g/mol. IUPAC: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide.
Chemical Property Profile of 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide
Property Insights of 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide
The XLogP value of 1.9442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide. With a topological polar surface area (TPSA) of 47.56 Ų, 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide 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 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide?
The CAS number of 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide is 480424-93-9.
What is the molecular formula of 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide?
The molecular formula of 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide is C14H20BNO3.
What is the molecular weight of 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide?
The molecular weight of 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide is 261.15 g/mol.
Where can I buy 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide?
You can request a quote for 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide?
Yes, KEHONG BIO provides custom synthesis services for 3'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.