![4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid structure](/static/products/3927/392709-47-6.webp)
4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid
TL;DR: 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid (CAS 392709-47-6) is a chemical compound with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2-phthalazin-1-ylsulfanylacetyl)amino]methyl]benzoic acid
Also Known As: 4-{[2-(phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid, 4-[(2-phthalazinylthioacetylamino)methyl]benzoic acid, 4-[[(2-phthalazin-1-ylsulfanylacetyl)amino]methyl]benzoic Acid
| Molecular Formula | C18H15N3O3S |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 2.7365 |
| Topological Polar Surface Area | 92.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.0834 |
| Heavy Atoms | 25 |
| Complexity | 907.5932 |
Chemical Identifiers
| CAS Number | 392709-47-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NN=C2SCC(=O)NCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid (CAS 392709-47-6), with molecular formula C18H15N3O3S and molecular weight 353.08 g/mol. IUPAC: 4-[[(2-phthalazin-1-ylsulfanylacetyl)amino]methyl]benzoic acid.
Chemical Property Profile of 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid
Property Insights of 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid
The XLogP value of 2.7365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid. The TPSA of 92.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid. Following Lipinski's Rule of Five, 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}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 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid?
The CAS number of 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid is 392709-47-6.
What is the molecular formula of 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid?
The molecular formula of 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid is C18H15N3O3S.
What is the molecular weight of 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid?
The molecular weight of 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid is 353.08 g/mol.
Where can I buy 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid?
You can request a quote for 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[2-(Phthalazin-1-ylsulfanyl)acetamido]methyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.