3-(N-Benzylaminocarbonyl)phenylboronic acid
TL;DR: 3-(N-Benzylaminocarbonyl)phenylboronic acid (CAS 62549-14-8) is a chemical compound with molecular formula C14H14BNO3 and molecular weight 255.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzylcarbamoyl)phenyl]boronic acid
Also Known As: (3-(Benzylcarbamoyl)phenyl)boronic acid, 3-(N-BENZYLAMINOCARBONYL)PHENYLBORONIC ACID, [3-(benzylcarbamoyl)phenyl]boronic Acid, 3-(benzylcarbamoyl)phenylboronic acid, 3-[(Benzylamino)carbonyl]phenylboronic acid
| Molecular Formula | C14H14BNO3 |
|---|---|
| Molecular Weight | 255.11 g/mol |
| LogP | 0.2964 |
| Topological Polar Surface Area | 69.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.10667 |
| Heavy Atoms | 19 |
| Complexity | 557.6274 |
Chemical Identifiers
| CAS Number | 62549-14-8 |
|---|---|
| SMILES | B(C1=CC(=CC=C1)C(=O)NCC2=CC=CC=C2)(O)O |
Product Overview
3-(N-Benzylaminocarbonyl)phenylboronic acid (CAS 62549-14-8), with molecular formula C14H14BNO3 and molecular weight 255.11 g/mol. IUPAC: [3-(benzylcarbamoyl)phenyl]boronic acid.
Chemical Property Profile of 3-(N-Benzylaminocarbonyl)phenylboronic acid
Property Insights of 3-(N-Benzylaminocarbonyl)phenylboronic acid
The XLogP value of 0.2964 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(N-Benzylaminocarbonyl)phenylboronic acid. The TPSA of 69.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(N-Benzylaminocarbonyl)phenylboronic acid. Following Lipinski's Rule of Five, 3-(N-Benzylaminocarbonyl)phenylboronic acid has 3 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-(N-Benzylaminocarbonyl)phenylboronic acid?
The CAS number of 3-(N-Benzylaminocarbonyl)phenylboronic acid is 62549-14-8.
What is the molecular formula of 3-(N-Benzylaminocarbonyl)phenylboronic acid?
The molecular formula of 3-(N-Benzylaminocarbonyl)phenylboronic acid is C14H14BNO3.
What is the molecular weight of 3-(N-Benzylaminocarbonyl)phenylboronic acid?
The molecular weight of 3-(N-Benzylaminocarbonyl)phenylboronic acid is 255.11 g/mol.
Where can I buy 3-(N-Benzylaminocarbonyl)phenylboronic acid?
You can request a quote for 3-(N-Benzylaminocarbonyl)phenylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(N-Benzylaminocarbonyl)phenylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(N-Benzylaminocarbonyl)phenylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.