Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
TL;DR: Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate (CAS 301339-33-3) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
Also Known As: butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate, 2-Cyano-3-(5-phenyl-furan-2-yl)-acrylic acid sec-butyl ester
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 4.19528 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 707.43353 |
Chemical Identifiers
| CAS Number | 301339-33-3 |
|---|---|
| SMILES | CCC(C)OC(=O)C(=CC1=CC=C(O1)C2=CC=CC=C2)C#N |
Product Overview
Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate (CAS 301339-33-3), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate.
Chemical Property Profile of Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
Property Insights of Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate
The XLogP value of 4.19528 indicates that Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate. Following Lipinski's Rule of Five, Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate has 0 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 Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
The CAS number of Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate is 301339-33-3.
What is the molecular formula of Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
The molecular formula of Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate is C18H17NO3.
What is the molecular weight of Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
The molecular weight of Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate is 295.12 g/mol.
Where can I buy Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
You can request a quote for Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl 2-cyano-3-(5-phenylfuran-2-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.