![diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate structure](/static/products/5959/59591-74-1.webp)
diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate
TL;DR: diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate (CAS 59591-74-1) is a chemical compound with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(1H-indazol-3-ylamino)methylidene]propanedioate
Also Known As: diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate, diethyl 2-[(1H-indazol-3-ylamino)methylidene]propanedioate, 1,3-diethyl 2-{[(1H-indazol-3-yl)amino]methylidene}propanedioate, 3W-0811, diethyl 2-[(1H-indazol-3-ylamino)methylene]propanedioate
| Molecular Formula | C15H17N3O4 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 1.9849 |
| Topological Polar Surface Area | 93.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.12192 |
| Heavy Atoms | 22 |
| Complexity | 685.6304 |
Chemical Identifiers
| CAS Number | 59591-74-1 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=NNC2=CC=CC=C21)C(=O)OCC |
Product Overview
diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate (CAS 59591-74-1), with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol. IUPAC: diethyl 2-[(1H-indazol-3-ylamino)methylidene]propanedioate.
Chemical Property Profile of diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate
Property Insights of diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate
The XLogP value of 1.9849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate. The TPSA of 93.31 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate. Following Lipinski's Rule of Five, diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate has 2 hydrogen bond donor(s) and 6 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-[(1H-indazol-3-ylamino)methylene]malonate?
The CAS number of diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate is 59591-74-1.
What is the molecular formula of diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate?
The molecular formula of diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate is C15H17N3O4.
What is the molecular weight of diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate?
The molecular weight of diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate is 303.12 g/mol.
Where can I buy diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate?
You can request a quote for diethyl 2-[(1H-indazol-3-ylamino)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-[(1H-indazol-3-ylamino)methylene]malonate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-[(1H-indazol-3-ylamino)methylene]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.