2-Phenylbutenal
TL;DR: 2-Phenylbutenal (CAS 54075-09-1) is a chemical compound with molecular formula C10H10O and molecular weight 146.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-phenylbut-2-enal
Also Known As: 2-PHENYL-2-BUTENAL, 2-Phenylbutenal, 2-Phenylcrotonaldehyde, (E)-2-phenylbut-2-enal, Phenylcrotonaldehyd
| Molecular Formula | C10H10O |
|---|---|
| Molecular Weight | 146.07 g/mol |
| LogP | 2.2888 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.07317 |
| Heavy Atoms | 11 |
| Complexity | 259.4611 |
Chemical Identifiers
| CAS Number | 54075-09-1 |
|---|---|
| SMILES | C/C=C(/C=O)\C1=CC=CC=C1 |
Product Overview
2-Phenylbutenal (CAS 54075-09-1), with molecular formula C10H10O and molecular weight 146.07 g/mol. IUPAC: (E)-2-phenylbut-2-enal.
Chemical Property Profile of 2-Phenylbutenal
Property Insights of 2-Phenylbutenal
The XLogP value of 2.2888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylbutenal. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Phenylbutenal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylbutenal has 0 hydrogen bond donor(s) and 1 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-Phenylbutenal?
The CAS number of 2-Phenylbutenal is 54075-09-1.
What is the molecular formula of 2-Phenylbutenal?
The molecular formula of 2-Phenylbutenal is C10H10O.
What is the molecular weight of 2-Phenylbutenal?
The molecular weight of 2-Phenylbutenal is 146.07 g/mol.
Where can I buy 2-Phenylbutenal?
You can request a quote for 2-Phenylbutenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylbutenal?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylbutenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.