2-(Ethoxycarbonylamino)ethylboronic acid
TL;DR: 2-(Ethoxycarbonylamino)ethylboronic acid (CAS 4540-86-7) is a chemical compound with molecular formula C5H12BNO4 and molecular weight 161.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(ethoxycarbonylamino)ethylboronic acid
Also Known As: 2-(ethoxycarbonylamino)ethylboronic acid, (2-((Ethoxycarbonyl)amino)ethyl)boronic acid, {2-[(ethoxycarbonyl)amino]ethyl}boronic acid
| Molecular Formula | C5H12BNO4 |
|---|---|
| Molecular Weight | 161.09 g/mol |
| LogP | -0.7947 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 161.08594 |
| Heavy Atoms | 11 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 4540-86-7 |
|---|---|
| SMILES | B(CCNC(=O)OCC)(O)O |
| InChIKey | CKVVESKSKPRXRG-UHFFFAOYSA-N |
Product Overview
2-(Ethoxycarbonylamino)ethylboronic acid (CAS 4540-86-7), with molecular formula C5H12BNO4 and molecular weight 161.09 g/mol. IUPAC: 2-(ethoxycarbonylamino)ethylboronic acid.
Chemical Property Profile of 2-(Ethoxycarbonylamino)ethylboronic acid
Property Insights of 2-(Ethoxycarbonylamino)ethylboronic acid
The XLogP value of -0.7947 indicates that 2-(Ethoxycarbonylamino)ethylboronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethoxycarbonylamino)ethylboronic acid. Following Lipinski's Rule of Five, 2-(Ethoxycarbonylamino)ethylboronic 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 2-(Ethoxycarbonylamino)ethylboronic acid?
The CAS number of 2-(Ethoxycarbonylamino)ethylboronic acid is 4540-86-7.
What is the molecular formula of 2-(Ethoxycarbonylamino)ethylboronic acid?
The molecular formula of 2-(Ethoxycarbonylamino)ethylboronic acid is C5H12BNO4.
What is the molecular weight of 2-(Ethoxycarbonylamino)ethylboronic acid?
The molecular weight of 2-(Ethoxycarbonylamino)ethylboronic acid is 161.09 g/mol.
Where can I buy 2-(Ethoxycarbonylamino)ethylboronic acid?
You can request a quote for 2-(Ethoxycarbonylamino)ethylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethoxycarbonylamino)ethylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethoxycarbonylamino)ethylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.