![3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid structure](/static/products/896/896804-92-5.png)
3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid
TL;DR: 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid (CAS 896804-92-5) is a chemical compound with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoic acid
Also Known As: 3-(2-phthalazinylthioacetylamino)benzoic acid, 3-(2-(phthalazin-1-ylthio)acetamido)benzoic acid, 3-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoic Acid, 3-{[(phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid, 3-[2-(Phthalazin-1-ylsulfanyl)-acetylamino]-benzoic acid
| Molecular Formula | C17H13N3O3S |
|---|---|
| Molecular Weight | 339.07 g/mol |
| LogP | 3.0588 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.06775 |
| Heavy Atoms | 24 |
| Complexity | 908.9812 |
Chemical Identifiers
| CAS Number | 896804-92-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)O |
Product Overview
3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid (CAS 896804-92-5), with molecular formula C17H13N3O3S and molecular weight 339.07 g/mol. IUPAC: 3-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoic acid.
Chemical Property Profile of 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid
Property Insights of 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid
The XLogP value of 3.0588 indicates that 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid has 2 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 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid?
The CAS number of 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid is 896804-92-5.
What is the molecular formula of 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid?
The molecular formula of 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid is C17H13N3O3S.
What is the molecular weight of 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid?
The molecular weight of 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid is 339.07 g/mol.
Where can I buy 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid?
You can request a quote for 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(Phthalazin-1-ylsulfanyl)acetyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.