N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester
TL;DR: N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester (CAS 159086-03-0) is a chemical compound with molecular formula C22H27NO4 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-phenylpropanoate
Also Known As: OFP-BE, Sid 774565, (E)-N-(5-(2-Furanyl)-3-oxo-4-pentenyl)-L-phenylalanine butyl ester, N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester, L-Phenylalanine, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, butyl ester, (E)-
| Molecular Formula | C22H27NO4 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 3.7962 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 369.194 |
| Heavy Atoms | 27 |
| Complexity | 707.1787 |
Chemical Identifiers
| CAS Number | 159086-03-0 |
|---|---|
| SMILES | CCCCOC(=O)[C@H](CC1=CC=CC=C1)NCCC(=O)/C=C/C2=CC=CO2 |
Product Overview
N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester (CAS 159086-03-0), with molecular formula C22H27NO4 and molecular weight 369.19 g/mol. IUPAC: butyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-phenylpropanoate.
Chemical Property Profile of N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester
Property Insights of N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester
The XLogP value of 3.7962 indicates that N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester. Following Lipinski's Rule of Five, N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester has 1 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-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester?
The CAS number of N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester is 159086-03-0.
What is the molecular formula of N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester?
The molecular formula of N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester is C22H27NO4.
What is the molecular weight of N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester?
The molecular weight of N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester is 369.19 g/mol.
Where can I buy N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester?
You can request a quote for N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(3'-Oxo-5'-alpha-furylpent-4-en-1-yl)phenylalanine butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.