Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate
TL;DR: Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate (CAS 22418-98-0) is a chemical compound with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
Also Known As: BAS 01913861, ethyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate, ethyl 3-(1,4-dioxo-3,4-dihydrophthalazin-2(1H)-yl)propanoate, Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate, AJ-292/13893080
| Molecular Formula | C13H14N2O4 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.09537 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 22418-98-0 |
|---|---|
| SMILES | CCOC(=O)CCN1C(=O)C2=CC=CC=C2C(=O)N1 |
| InChIKey | CSYCRQMBIRZTQA-UHFFFAOYSA-N |
Product Overview
Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate (CAS 22418-98-0), with molecular formula C13H14N2O4 and molecular weight 262.10 g/mol. IUPAC: ethyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate.
Chemical Property Profile of Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate
Property Insights of Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate. Following Lipinski's Rule of Five, Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate has 1 hydrogen bond donor(s) and 4 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 Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate?
The CAS number of Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate is 22418-98-0.
What is the molecular formula of Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate?
The molecular formula of Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate is C13H14N2O4.
What is the molecular weight of Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate?
The molecular weight of Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate is 262.10 g/mol.
Where can I buy Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate?
You can request a quote for Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dihydro-1,4-dioxo-2(1H)-phthalazinepropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.