(2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid
TL;DR: (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid (CAS 956047-58-8) is a chemical compound with molecular formula C26H29NO6 and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
Also Known As: (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid, (2S,3S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid
| Molecular Formula | C26H29NO6 |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 3.99494 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 451.1995 |
| Heavy Atoms | 33 |
| Complexity | 1214.9194 |
Chemical Identifiers
| CAS Number | 956047-58-8 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C |
Product Overview
(2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid (CAS 956047-58-8), with molecular formula C26H29NO6 and molecular weight 451.20 g/mol. IUPAC: (2S,3S)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylpentanoic acid.
Chemical Property Profile of (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid
Property Insights of (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid
The XLogP value of 3.99494 indicates that (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic 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 (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid. Following Lipinski's Rule of Five, (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic 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 (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid?
The CAS number of (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid is 956047-58-8.
What is the molecular formula of (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid?
The molecular formula of (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid is C26H29NO6.
What is the molecular weight of (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid?
The molecular weight of (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid is 451.20 g/mol.
Where can I buy (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid?
You can request a quote for (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-2-(2-((3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.