2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-
TL;DR: 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- (CAS 27003-65-2) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-naphthalen-2-ylbut-2-enoate
Also Known As: ethyl 2-cyano-3-naphthalen-2-ylbut-2-enoate, ethyl 2-cyano-3-(naphthalen-2-yl)but-2-enoate, 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-, 2-Butenoic acid,2-cyano-3-(2-naphthalenyl)-,ethyl ester,(E)
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.1103 |
| Heavy Atoms | 20 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 27003-65-2 |
|---|---|
| SMILES | CCOC(=O)C(=C(C)C1=CC2=CC=CC=C2C=C1)C#N |
| InChIKey | WALZSBZJMAJECZ-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- (CAS 27003-65-2), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: ethyl 2-cyano-3-naphthalen-2-ylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-
Property Insights of 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-
The XLogP value of 4.4 indicates that 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- has 0 hydrogen bond donor(s) and 3 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 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-?
The CAS number of 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- is 27003-65-2.
What is the molecular formula of 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-?
The molecular formula of 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- is C17H15NO2.
What is the molecular weight of 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-?
The molecular weight of 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- is 265.11 g/mol.
Where can I buy 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-?
You can request a quote for 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-cyano-3-(2-naphthalenyl)-, ethyl ester, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.