![2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid structure](/static/products/1009/1009685-07-7.webp)
2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid
TL;DR: 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid (CAS 1009685-07-7) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoic acid
Also Known As: 2-((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid, F2117-0096, 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoic acid, N-(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)methionine, 2-({4-methyl-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl}amino)-4-(methylsulfanyl)butanoic acid
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 3.30262 |
| Topological Polar Surface Area | 88.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 862.26935 |
Chemical Identifiers
| CAS Number | 1009685-07-7 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)NC(CCSC)C(=O)O)OC3=CC=CC=C32 |
Product Overview
2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid (CAS 1009685-07-7), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: 2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid
Property Insights of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid
The XLogP value of 3.30262 indicates that 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid. Following Lipinski's Rule of Five, 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid has 2 hydrogen bond donor(s) and 6 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-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid?
The CAS number of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid is 1009685-07-7.
What is the molecular formula of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid?
The molecular formula of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid is C16H17N3O3S.
What is the molecular weight of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid?
The molecular weight of 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid is 331.10 g/mol.
Where can I buy 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid?
You can request a quote for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-Methylbenzofuro[3,2-d]pyrimidin-4-yl)amino)-4-(methylthio)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.