1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester
TL;DR: 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester (CAS 50469-71-1) is a chemical compound with molecular formula C16H16BrNO4 and molecular weight 365.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-amino-6-bromoazulene-1,3-dicarboxylate
Also Known As: diethyl 2-amino-6-bromoazulene-1,3-dicarboxylate, 2-amino-6-bromo-1,3-bisethoxycarbonylazulene, Ethyl 2-amino-6-bromoazulene-1,3-dicarboxylate, 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester, Diethyl 2-amino-6-bromo-1,3-azulenedicarboxylate
| Molecular Formula | C16H16BrNO4 |
|---|---|
| Molecular Weight | 365.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.02628 |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 50469-71-1 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)Br |
| InChIKey | FFJDTLVBBHOFJN-UHFFFAOYSA-N |
Product Overview
1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester (CAS 50469-71-1), with molecular formula C16H16BrNO4 and molecular weight 365.03 g/mol. IUPAC: diethyl 2-amino-6-bromoazulene-1,3-dicarboxylate.
Chemical Property Profile of 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester
Property Insights of 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester
The XLogP value of 3.9 indicates that 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester. Following Lipinski's Rule of Five, 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl 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 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester?
The CAS number of 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester is 50469-71-1.
What is the molecular formula of 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester?
The molecular formula of 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester is C16H16BrNO4.
What is the molecular weight of 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester?
The molecular weight of 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester is 365.03 g/mol.
Where can I buy 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester?
You can request a quote for 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Azulenedicarboxylic acid, 2-amino-6-bromo-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.