![Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate structure](/static/products/338/338417-99-5.png)
Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate
TL;DR: Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate (CAS 338417-99-5) is a chemical compound with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-benzylphthalazin-1-yl)sulfanylacetate
Also Known As: Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]-acetate, methylbenzylphthalazinylsulfanylacetate, methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate, methyl 2-[(4-benzylphthalazin-1-yl)sulfanyl]acetate, methyl 2-(4-benzylphthalazin-1-yl)sulfanylacetate
| Molecular Formula | C18H16N2O2S |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 3.4857 |
| Topological Polar Surface Area | 52.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.09326 |
| Heavy Atoms | 23 |
| Complexity | 821.6243 |
Chemical Identifiers
| CAS Number | 338417-99-5 |
|---|---|
| SMILES | COC(=O)CSC1=NN=C(C2=CC=CC=C21)CC3=CC=CC=C3 |
Product Overview
Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate (CAS 338417-99-5), with molecular formula C18H16N2O2S and molecular weight 324.09 g/mol. IUPAC: methyl 2-(4-benzylphthalazin-1-yl)sulfanylacetate.
Chemical Property Profile of Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate
Property Insights of Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate
The XLogP value of 3.4857 indicates that Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.08 Ų, Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate has 0 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 Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate?
The CAS number of Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate is 338417-99-5.
What is the molecular formula of Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate?
The molecular formula of Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate is C18H16N2O2S.
What is the molecular weight of Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate?
The molecular weight of Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate is 324.09 g/mol.
Where can I buy Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate?
You can request a quote for Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(4-benzyl-1-phthalazinyl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.