Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester
TL;DR: Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester (CAS 5407-84-1) is a chemical compound with molecular formula C10H13BN2O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane
Also Known As: 2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane, 2,2'-Iminodiethyl m-nitrobenzeneboronate, Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester, 4-16-00-01670 (Beilstein Handbook Reference), 2- -1,3-dioxa-2-bora-6-azacyclooctane
| Molecular Formula | C10H13BN2O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | -0.0736 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.09683 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 5407-84-1 |
|---|---|
| SMILES | B1(OCCNCCO1)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | VTNRZWVOTFWCRX-UHFFFAOYSA-N |
Product Overview
Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester (CAS 5407-84-1), with molecular formula C10H13BN2O4 and molecular weight 236.10 g/mol. IUPAC: 2-(3-nitrophenyl)-1,3,6,2-dioxazaborocane.
Chemical Property Profile of Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester
Property Insights of Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester
The XLogP value of -0.0736 indicates that Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester. Following Lipinski's Rule of Five, Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester has 1 hydrogen bond donor(s) and 5 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 Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester?
The CAS number of Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester is 5407-84-1.
What is the molecular formula of Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester?
The molecular formula of Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester is C10H13BN2O4.
What is the molecular weight of Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester?
The molecular weight of Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester is 236.10 g/mol.
Where can I buy Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester?
You can request a quote for Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneboronic acid, 3-nitro-, 2,2'-iminodiethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.