![Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate structure](/static/products/1316/131666-72-3.webp)
Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate
TL;DR: Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate (CAS 131666-72-3) is a chemical compound with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate
Also Known As: Maybridge1_004948, ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate, 3714AD, Ethyl 2-(3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl)acetate, ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate
| Molecular Formula | C14H15N3O3S |
|---|---|
| Molecular Weight | 305.08 g/mol |
| LogP | 0.7882 |
| Topological Polar Surface Area | 87.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.0834 |
| Heavy Atoms | 21 |
| Complexity | 754.7029 |
Chemical Identifiers
| CAS Number | 131666-72-3 |
|---|---|
| SMILES | CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC(=S)N |
Product Overview
Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate (CAS 131666-72-3), with molecular formula C14H15N3O3S and molecular weight 305.08 g/mol. IUPAC: ethyl 2-[3-(2-amino-2-sulfanylideneethyl)-4-oxophthalazin-1-yl]acetate.
Chemical Property Profile of Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate
Property Insights of Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate
The XLogP value of 0.7882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate. The TPSA of 87.21 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate 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 Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate?
The CAS number of Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate is 131666-72-3.
What is the molecular formula of Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate?
The molecular formula of Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate is C14H15N3O3S.
What is the molecular weight of Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate?
The molecular weight of Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate is 305.08 g/mol.
Where can I buy Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate?
You can request a quote for Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-(2-amino-2-thioxoethyl)-4-oxo-3,4-dihydrophthalazin-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.