![(2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid structure](/static/products/956/956209-50-0.png)
(2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid
TL;DR: (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid (CAS 956209-50-0) is a chemical compound with molecular formula C20H19NO6S and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid
Also Known As: (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid, (S,Z)-3-methyl-2-(2-((3-oxo-2-(thiophen-2-ylmethylene)-2,3-dihydrobenzofuran-6-yl)oxy)acetamido)butanoic acid, 3-methyl-2-[[2-[3-oxo-2-(thiophen-2-ylmethylidene)benzofuran-6-yl]oxyacetyl]amino]butanoic Acid
| Molecular Formula | C20H19NO6S |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 2.9685 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.09332 |
| Heavy Atoms | 28 |
| Complexity | 932.1775 |
Chemical Identifiers
| CAS Number | 956209-50-0 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)COC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=CS3)/O2 |
Product Overview
(2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid (CAS 956209-50-0), with molecular formula C20H19NO6S and molecular weight 401.09 g/mol. IUPAC: (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid
Property Insights of (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid
The XLogP value of 2.9685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]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 (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid?
The CAS number of (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid is 956209-50-0.
What is the molecular formula of (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid?
The molecular formula of (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid is C20H19NO6S.
What is the molecular weight of (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid?
The molecular weight of (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid is 401.09 g/mol.
Where can I buy (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid?
You can request a quote for (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]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 (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-[[2-[[(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-6-yl]oxy]acetyl]amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.