Ethyl (4-sulfanylphthalazin-1-yl)acetate
TL;DR: Ethyl (4-sulfanylphthalazin-1-yl)acetate (CAS 89467-90-3) is a chemical compound with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-sulfanylidene-3H-phthalazin-1-yl)acetate
Also Known As: ethyl (4-sulfanylphthalazin-1-yl)acetate, ethyl 2-(4-thioxo-3,4-dihydrophthalazin-1-yl)acetate, ethyl (4-thioxo-3,4-dihydro-1-phthalazinyl)acetate, 1-Phthalazineacetic acid, 3,4-dihydro-4-thioxo-, ethyl ester, ethyl 2-(4-sulfanylidene-3H-phthalazin-1-yl)acetate
| Molecular Formula | C12H12N2O2S |
|---|---|
| Molecular Weight | 248.06 g/mol |
| LogP | 2.39799 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06195 |
| Heavy Atoms | 17 |
| Complexity | 606.7223 |
Chemical Identifiers
| CAS Number | 89467-90-3 |
|---|---|
| SMILES | CCOC(=O)CC1=NNC(=S)C2=CC=CC=C21 |
Product Overview
Ethyl (4-sulfanylphthalazin-1-yl)acetate (CAS 89467-90-3), with molecular formula C12H12N2O2S and molecular weight 248.06 g/mol. IUPAC: ethyl 2-(4-sulfanylidene-3H-phthalazin-1-yl)acetate.
Chemical Property Profile of Ethyl (4-sulfanylphthalazin-1-yl)acetate
Property Insights of Ethyl (4-sulfanylphthalazin-1-yl)acetate
The XLogP value of 2.39799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-sulfanylphthalazin-1-yl)acetate. With a topological polar surface area (TPSA) of 54.98 Ų, Ethyl (4-sulfanylphthalazin-1-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (4-sulfanylphthalazin-1-yl)acetate 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 (4-sulfanylphthalazin-1-yl)acetate?
The CAS number of Ethyl (4-sulfanylphthalazin-1-yl)acetate is 89467-90-3.
What is the molecular formula of Ethyl (4-sulfanylphthalazin-1-yl)acetate?
The molecular formula of Ethyl (4-sulfanylphthalazin-1-yl)acetate is C12H12N2O2S.
What is the molecular weight of Ethyl (4-sulfanylphthalazin-1-yl)acetate?
The molecular weight of Ethyl (4-sulfanylphthalazin-1-yl)acetate is 248.06 g/mol.
Where can I buy Ethyl (4-sulfanylphthalazin-1-yl)acetate?
You can request a quote for Ethyl (4-sulfanylphthalazin-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 (4-sulfanylphthalazin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-sulfanylphthalazin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.