Diethyl 6-aminoazulene-1,3-dicarboxylate
TL;DR: Diethyl 6-aminoazulene-1,3-dicarboxylate (CAS 13148-46-4) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 6-aminoazulene-1,3-dicarboxylate
Also Known As: diethyl 6-aminoazulene-1,3-dicarboxylate, J1.915.114J, 6-Aminoazulene-1,3-dicarboxylic acid diethyl ester, 1,3-DIETHYL 6-AMINOAZULENE-1,3-DICARBOXYLATE
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 13148-46-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C2C1=CC=C(C=C2)N)C(=O)OCC |
| InChIKey | SWWKTHAAJLVXEN-UHFFFAOYSA-N |
Product Overview
Diethyl 6-aminoazulene-1,3-dicarboxylate (CAS 13148-46-4), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: diethyl 6-aminoazulene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 6-aminoazulene-1,3-dicarboxylate
Property Insights of Diethyl 6-aminoazulene-1,3-dicarboxylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 6-aminoazulene-1,3-dicarboxylate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 6-aminoazulene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 6-aminoazulene-1,3-dicarboxylate 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 Diethyl 6-aminoazulene-1,3-dicarboxylate?
The CAS number of Diethyl 6-aminoazulene-1,3-dicarboxylate is 13148-46-4.
What is the molecular formula of Diethyl 6-aminoazulene-1,3-dicarboxylate?
The molecular formula of Diethyl 6-aminoazulene-1,3-dicarboxylate is C16H17NO4.
What is the molecular weight of Diethyl 6-aminoazulene-1,3-dicarboxylate?
The molecular weight of Diethyl 6-aminoazulene-1,3-dicarboxylate is 287.12 g/mol.
Where can I buy Diethyl 6-aminoazulene-1,3-dicarboxylate?
You can request a quote for Diethyl 6-aminoazulene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 6-aminoazulene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 6-aminoazulene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.