(2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid
TL;DR: (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid (CAS 85146-09-4) is a chemical compound with molecular formula C23H27NO6 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-acetamido-3-phenylbutanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid
Also Known As: (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid, L-Phenylalanine, N-acetyl-beta-methyl-, (1R,2E,4Z,6E)-7-carboxy-1-((2S)-2-methyloxiranyl)-2,4,6-heptatrienyl ester, (betaS)-, N-Acetyl-I(2)-methyl-L-phenylalanine (1R,2E,4Z,6E)-7-carboxy-1-[(2S)-2-methyl-2-oxiranyl]-2,4,6-heptatrien-1-yl ester
| Molecular Formula | C23H27NO6 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 413.18384 |
| Heavy Atoms | 30 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 85146-09-4 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C(C(=O)OC(C=CC=CC=CC(=O)O)C2(CO2)C)NC(=O)C |
| InChIKey | HGSOUJPIFSDBKJ-UHFFFAOYSA-N |
Product Overview
(2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid (CAS 85146-09-4), with molecular formula C23H27NO6 and molecular weight 413.18 g/mol. IUPAC: 8-(2-acetamido-3-phenylbutanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic acid.
Chemical Property Profile of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid
Property Insights of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid. Following Lipinski's Rule of Five, (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic 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 (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid?
The CAS number of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid is 85146-09-4.
What is the molecular formula of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid?
The molecular formula of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid is C23H27NO6.
What is the molecular weight of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid?
The molecular weight of (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid is 413.18 g/mol.
Where can I buy (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid?
You can request a quote for (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid?
Yes, KEHONG BIO provides custom synthesis services for (2E,4E,6E)-8-(2-acetamido-3-phenyl-butanoyl)oxy-8-(2-methyloxiran-2-yl)octa-2,4,6-trienoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.