![N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine structure](/static/products/957/957043-79-7.png)
N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine
TL;DR: N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine (CAS 957043-79-7) is a chemical compound with molecular formula C26H25NO6 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[[2-[5-methyl-3-(4-methylphenyl)-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]butanoic acid
Also Known As: AO-022/43453836, N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine, (2S)-3-methyl-2-[[2-[5-methyl-3-(4-methylphenyl)-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]butanoic acid, (S)-3-methyl-2-(2-(5-methyl-7-oxo-3-(p-tolyl)-7H-furo[3,2-g]chromen-6-yl)acetamido)butanoic acid
| Molecular Formula | C26H25NO6 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 4.59094 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 447.16818 |
| Heavy Atoms | 33 |
| Complexity | 1425.4644 |
Chemical Identifiers
| CAS Number | 957043-79-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=COC3=C2C=C4C(=C(C(=O)OC4=C3)CC(=O)N[C@@H](C(C)C)C(=O)O)C |
Product Overview
N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine (CAS 957043-79-7), with molecular formula C26H25NO6 and molecular weight 447.17 g/mol. IUPAC: (2S)-3-methyl-2-[[2-[5-methyl-3-(4-methylphenyl)-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]butanoic acid.
Chemical Property Profile of N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine
Property Insights of N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine
The XLogP value of 4.59094 indicates that N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine. Following Lipinski's Rule of Five, N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}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
Frequently Asked Questions
What is the CAS number of N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine?
The CAS number of N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine is 957043-79-7.
What is the molecular formula of N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine?
The molecular formula of N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine is C26H25NO6.
What is the molecular weight of N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine?
The molecular weight of N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine is 447.17 g/mol.
Where can I buy N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine?
You can request a quote for N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}valine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.