Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate
TL;DR: Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate (CAS 139693-80-4) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pent-4-enyl 2-(furan-2-ylmethylamino)butanoate
Also Known As: pent-4-enyl 2-(furan-2-ylmethylamino)butanoate, 4-Pentenyl (RS)-2-furfurylaminobutanoate, Pent-4-enyl 2-(2-furylmethylamino)butanoate, 2-(Furfurylamino)butyric acid 4-pentenyl ester, Pent-4-en-1-yl 2-{[(furan-2-yl)methyl]amino}butanoate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 139693-80-4 |
|---|---|
| SMILES | CCC(C(=O)OCCCC=C)NCC1=CC=CO1 |
| InChIKey | VXROXNGMMPTDRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate (CAS 139693-80-4), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: pent-4-enyl 2-(furan-2-ylmethylamino)butanoate.
Chemical Property Profile of Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate
Property Insights of Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate. With a topological polar surface area (TPSA) of 51.5 Ų, Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate has 1 hydrogen bond donor(s) and 4 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 Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate?
The CAS number of Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate is 139693-80-4.
What is the molecular formula of Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate?
The molecular formula of Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate is C14H21NO3.
What is the molecular weight of Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate?
The molecular weight of Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate is 251.15 g/mol.
Where can I buy Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate?
You can request a quote for Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Pent-4-enyl 2-(furan-2-ylmethylamino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.