![Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate structure](/static/products/3300/33007-33-9.webp)
Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate
TL;DR: Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate (CAS 33007-33-9) is a chemical compound with molecular formula C13H17N3O4 and molecular weight 279.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[[(6-amino-2-pyridinyl)amino]methylidene]propanedioate
Also Known As: diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate, 2-[[ amino]methylene]malonicaciddiethylester, Diethyl 2-(((6-aminopyridin-2-yl)amino)methylene)malonate, diethyl 2-[[(6-aminopyridin-2-yl)amino]methylidene]propanedioate, 12W-0866
| Molecular Formula | C13H17N3O4 |
|---|---|
| Molecular Weight | 279.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 279.12192 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 33007-33-9 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC(=N1)N)C(=O)OCC |
| InChIKey | XVFWSINKSUKSMN-UHFFFAOYSA-N |
Product Overview
Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate (CAS 33007-33-9), with molecular formula C13H17N3O4 and molecular weight 279.12 g/mol. IUPAC: diethyl 2-[[(6-amino-2-pyridinyl)amino]methylidene]propanedioate.
Chemical Property Profile of Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate
Property Insights of Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate. Following Lipinski's Rule of Five, Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate has 2 hydrogen bond donor(s) and 7 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 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate?
The CAS number of Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate is 33007-33-9.
What is the molecular formula of Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate?
The molecular formula of Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate is C13H17N3O4.
What is the molecular weight of Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate?
The molecular weight of Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate is 279.12 g/mol.
Where can I buy Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate?
You can request a quote for Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-{[(6-amino-2-pyridinyl)amino]methylene}malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.