2-(4-Methylphthalazinylthio)acetic acid
TL;DR: 2-(4-Methylphthalazinylthio)acetic acid (CAS 84257-64-7) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphthalazin-1-yl)sulfanylacetic acid
Also Known As: 2-(4-methylphthalazinylthio)acetic acid, 2-(4-methylphthalazin-1-yl)sulfanylacetic Acid, [(4-methylphthalazin-1-yl)sulfanyl]acetic acid, 2-((4-methylphthalazin-1-yl)thio)acetic acid, Acetic acid, 2-[(4-methyl-1-phthalazinyl)thio]-
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.11492 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 542.49567 |
Chemical Identifiers
| CAS Number | 84257-64-7 |
|---|---|
| SMILES | CC1=NN=C(C2=CC=CC=C12)SCC(=O)O |
Product Overview
2-(4-Methylphthalazinylthio)acetic acid (CAS 84257-64-7), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 2-(4-methylphthalazin-1-yl)sulfanylacetic acid.
Chemical Property Profile of 2-(4-Methylphthalazinylthio)acetic acid
Property Insights of 2-(4-Methylphthalazinylthio)acetic acid
The XLogP value of 2.11492 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphthalazinylthio)acetic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylphthalazinylthio)acetic acid. Following Lipinski's Rule of Five, 2-(4-Methylphthalazinylthio)acetic acid 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 2-(4-Methylphthalazinylthio)acetic acid?
The CAS number of 2-(4-Methylphthalazinylthio)acetic acid is 84257-64-7.
What is the molecular formula of 2-(4-Methylphthalazinylthio)acetic acid?
The molecular formula of 2-(4-Methylphthalazinylthio)acetic acid is C11H10N2O2S.
What is the molecular weight of 2-(4-Methylphthalazinylthio)acetic acid?
The molecular weight of 2-(4-Methylphthalazinylthio)acetic acid is 234.05 g/mol.
Where can I buy 2-(4-Methylphthalazinylthio)acetic acid?
You can request a quote for 2-(4-Methylphthalazinylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphthalazinylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphthalazinylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.