(2-(Diisopropylcarbamoyl)phenyl)boronic acid
TL;DR: (2-(Diisopropylcarbamoyl)phenyl)boronic acid (CAS 103682-76-4) is a chemical compound with molecular formula C13H20BNO3 and molecular weight 249.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[di(propan-2-yl)carbamoyl]phenyl]boronic acid
Also Known As: 2-(Diisopropylcarbanoyl) phenylboronic acid, (2-(Diisopropylcarbamoyl)phenyl)boronic acid, [2-(diisopropylcarbamoyl)phenyl]boronic acid, {2-[(diisopropylamino)carbonyl]phenyl}boronic acid, 2-[(diisopropylamino)carbonyl]phenylboronic acid
| Molecular Formula | C13H20BNO3 |
|---|---|
| Molecular Weight | 249.15 g/mol |
| LogP | 0.6254 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.15363 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 103682-76-4 |
|---|---|
| SMILES | B(C1=CC=CC=C1C(=O)N(C(C)C)C(C)C)(O)O |
| InChIKey | QLZAMQCEYYXNTG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-(Diisopropylcarbamoyl)phenyl)boronic acid (CAS 103682-76-4), with molecular formula C13H20BNO3 and molecular weight 249.15 g/mol. IUPAC: [2-[di(propan-2-yl)carbamoyl]phenyl]boronic acid.
Chemical Property Profile of (2-(Diisopropylcarbamoyl)phenyl)boronic acid
Property Insights of (2-(Diisopropylcarbamoyl)phenyl)boronic acid
The XLogP value of 0.6254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-(Diisopropylcarbamoyl)phenyl)boronic acid. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-(Diisopropylcarbamoyl)phenyl)boronic acid. Following Lipinski's Rule of Five, (2-(Diisopropylcarbamoyl)phenyl)boronic 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 (2-(Diisopropylcarbamoyl)phenyl)boronic acid?
The CAS number of (2-(Diisopropylcarbamoyl)phenyl)boronic acid is 103682-76-4.
What is the molecular formula of (2-(Diisopropylcarbamoyl)phenyl)boronic acid?
The molecular formula of (2-(Diisopropylcarbamoyl)phenyl)boronic acid is C13H20BNO3.
What is the molecular weight of (2-(Diisopropylcarbamoyl)phenyl)boronic acid?
The molecular weight of (2-(Diisopropylcarbamoyl)phenyl)boronic acid is 249.15 g/mol.
Where can I buy (2-(Diisopropylcarbamoyl)phenyl)boronic acid?
You can request a quote for (2-(Diisopropylcarbamoyl)phenyl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(Diisopropylcarbamoyl)phenyl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-(Diisopropylcarbamoyl)phenyl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.