![methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate structure](/static/products/1367/136789-12-3.webp)
methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate
TL;DR: methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate (CAS 136789-12-3) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate
Also Known As: N-((4E)-5-(2-Furanyl)-3-oxo-4-pentenyl)-L-isoleucine methyl ester, L-Isoleucine, N-(5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester, L-Isoleucine, N-((4E)-5-(2-furanyl)-3-oxo-4-pentenyl)-, methyl ester
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.4293 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 464.63135 |
Chemical Identifiers
| CAS Number | 136789-12-3 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)OC)NCCC(=O)C=CC1=CC=CO1 |
Product Overview
methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate (CAS 136789-12-3), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate.
Chemical Property Profile of methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate
Property Insights of methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate
The XLogP value of 2.4293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate. Following Lipinski's Rule of Five, methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate 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 methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate?
The CAS number of methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate is 136789-12-3.
What is the molecular formula of methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate?
The molecular formula of methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate is C16H23NO4.
What is the molecular weight of methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate?
The molecular weight of methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate is 293.16 g/mol.
Where can I buy methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate?
You can request a quote for methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2S,3S)-2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.