![4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid structure](/static/products/4403/440334-25-8.webp)
4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid
TL;DR: 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid (CAS 440334-25-8) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic acid
Also Known As: 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid, F6548-4394, 4-(((2-thioxo-1,2-dihydroquinazolin-4-yl)amino)methyl)benzoic acid, 4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}benzoic acid
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.60269 |
| Topological Polar Surface Area | 78.01 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 887.78156 |
Chemical Identifiers
| CAS Number | 440334-25-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NC(=S)N2)NCC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid (CAS 440334-25-8), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic acid.
Chemical Property Profile of 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid
Property Insights of 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid
The XLogP value of 3.60269 indicates that 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid. Following Lipinski's Rule of Five, 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid has 3 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 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid?
The CAS number of 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid is 440334-25-8.
What is the molecular formula of 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid?
The molecular formula of 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid is C16H13N3O2S.
What is the molecular weight of 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid?
The molecular weight of 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid is 311.07 g/mol.
Where can I buy 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid?
You can request a quote for 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]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-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[(2-sulfanylidene-1H-quinazolin-4-yl)amino]methyl]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.