![4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid structure](/static/products/1009/1009755-86-5.webp)
4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid
TL;DR: 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid (CAS 1009755-86-5) is a chemical compound with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfanyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid
Also Known As: VU0608465-1, F3277-0253, 4-(methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid, 4-methylsulfanyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid, 4-(methylsulfanyl)-2-({4-phenyl-8-oxa-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl}amino)butanoic acid
| Molecular Formula | C21H19N3O3S |
|---|---|
| Molecular Weight | 393.11 g/mol |
| LogP | 4.6612 |
| Topological Polar Surface Area | 88.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.11472 |
| Heavy Atoms | 28 |
| Complexity | 1127.8713 |
Chemical Identifiers
| CAS Number | 1009755-86-5 |
|---|---|
| SMILES | CSCCC(C(=O)O)NC1=NC(=NC2=C1OC3=CC=CC=C32)C4=CC=CC=C4 |
Product Overview
4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid (CAS 1009755-86-5), with molecular formula C21H19N3O3S and molecular weight 393.11 g/mol. IUPAC: 4-methylsulfanyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]butanoic acid.
Chemical Property Profile of 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid
Property Insights of 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid
The XLogP value of 4.6612 indicates that 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)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 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid. Following Lipinski's Rule of Five, 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)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 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid?
The CAS number of 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid is 1009755-86-5.
What is the molecular formula of 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid?
The molecular formula of 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid is C21H19N3O3S.
What is the molecular weight of 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid?
The molecular weight of 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid is 393.11 g/mol.
Where can I buy 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid?
You can request a quote for 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylthio)-2-((2-phenylbenzofuro[3,2-d]pyrimidin-4-yl)amino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.