(S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid
TL;DR: (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid (CAS 956050-36-5) is a chemical compound with molecular formula C25H27NO6 and molecular weight 437.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid
Also Known As: (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid, N-{[(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine, (2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid, 2-{2-[(3-BENZYL-4,8-DIMETHYL-2-OXO-2H-CHROMEN-7-YL)OXY]ACETAMIDO}-3-METHYLBUTANOIC ACID
| Molecular Formula | C25H27NO6 |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | 3.60484 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.18384 |
| Heavy Atoms | 32 |
| Complexity | 1196.518 |
Chemical Identifiers
| CAS Number | 956050-36-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](C(C)C)C(=O)O)CC3=CC=CC=C3 |
Product Overview
(S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid (CAS 956050-36-5), with molecular formula C25H27NO6 and molecular weight 437.18 g/mol. IUPAC: (2S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid.
Chemical Property Profile of (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid
Property Insights of (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid
The XLogP value of 3.60484 indicates that (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid. Following Lipinski's Rule of Five, (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic 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 (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid?
The CAS number of (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid is 956050-36-5.
What is the molecular formula of (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid?
The molecular formula of (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid is C25H27NO6.
What is the molecular weight of (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid?
The molecular weight of (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid is 437.18 g/mol.
Where can I buy (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid?
You can request a quote for (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.