N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine structure

N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine

TL;DR: N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine (CAS 957042-75-0) is a chemical compound with molecular formula C23H31NO6 and molecular weight 417.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

(2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid

Also Known As: EiM07-17066, N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine, (2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid, (S)-2-(2-((3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)-3-methylbutanoic acid, 2-[[2-(3-hexyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-3-methyl-butanoic Acid

CAS: 957042-75-0
Molecular Formula C23H31NO6
Molecular Weight 417.22 g/mol
LogP 3.82842
Topological Polar Surface Area 105.84 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 11
Exact Mass 417.21515
Heavy Atoms 30
Complexity 946.59424

Chemical Identifiers

CAS Number 957042-75-0
SMILES CCCCCCC1=C(C2=C(C=C(C=C2)OCC(=O)N[C@@H](C(C)C)C(=O)O)OC1=O)C

Product Overview

N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine (CAS 957042-75-0), with molecular formula C23H31NO6 and molecular weight 417.22 g/mol. IUPAC: (2S)-2-[[2-(3-hexyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-methylbutanoic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine

XLogP
3.82842
TPSA (Topological Polar Surface Area)
105.84
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
5
Rotatable Bonds
11
Heavy Atoms
30
Complexity
946.59424
Exact Mass
417.21515
Monoisotopic Mass
417.21515
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine

The XLogP value of 3.82842 indicates that N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine 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 N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine. Following Lipinski's Rule of Five, N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine 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

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine?

The CAS number of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine is 957042-75-0.

What is the molecular formula of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine?

The molecular formula of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine is C23H31NO6.

What is the molecular weight of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine?

The molecular weight of N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine is 417.22 g/mol.

Where can I buy N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine?

You can request a quote for N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine?

Yes, KEHONG BIO provides custom synthesis services for N-{[(3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-L-valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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