2-Phenyl-2-phthalazinylthioacetic acid
TL;DR: 2-Phenyl-2-phthalazinylthioacetic acid (CAS 95647-35-1) is a chemical compound with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-phthalazin-1-ylsulfanylacetic acid
Also Known As: ChemDiv1_001668, 2-phenyl-2-phthalazinylthioacetic acid, phenyl(1-phthalazinylsulfanyl)acetic acid, 2-phenyl-2-(phthalazin-1-ylsulfanyl)acetic acid, Phenyl-(phthalazin-1-ylsulfanyl)-acetic acid
| Molecular Formula | C16H12N2O2S |
|---|---|
| Molecular Weight | 296.06 g/mol |
| LogP | 3.5478 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06195 |
| Heavy Atoms | 21 |
| Complexity | 772.0937 |
Chemical Identifiers
| CAS Number | 95647-35-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)SC2=NN=CC3=CC=CC=C32 |
Product Overview
2-Phenyl-2-phthalazinylthioacetic acid (CAS 95647-35-1), with molecular formula C16H12N2O2S and molecular weight 296.06 g/mol. IUPAC: 2-phenyl-2-phthalazin-1-ylsulfanylacetic acid.
Chemical Property Profile of 2-Phenyl-2-phthalazinylthioacetic acid
Property Insights of 2-Phenyl-2-phthalazinylthioacetic acid
The XLogP value of 3.5478 indicates that 2-Phenyl-2-phthalazinylthioacetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenyl-2-phthalazinylthioacetic acid. Following Lipinski's Rule of Five, 2-Phenyl-2-phthalazinylthioacetic 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-Phenyl-2-phthalazinylthioacetic acid?
The CAS number of 2-Phenyl-2-phthalazinylthioacetic acid is 95647-35-1.
What is the molecular formula of 2-Phenyl-2-phthalazinylthioacetic acid?
The molecular formula of 2-Phenyl-2-phthalazinylthioacetic acid is C16H12N2O2S.
What is the molecular weight of 2-Phenyl-2-phthalazinylthioacetic acid?
The molecular weight of 2-Phenyl-2-phthalazinylthioacetic acid is 296.06 g/mol.
Where can I buy 2-Phenyl-2-phthalazinylthioacetic acid?
You can request a quote for 2-Phenyl-2-phthalazinylthioacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2-phthalazinylthioacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2-phthalazinylthioacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.