2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-
TL;DR: 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- (CAS 70634-48-9) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-2-en-1-one
Also Known As: 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-, (2E)-1-[(1S,2R,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]but-2-en-1-one, 2-Buten-1-one, 1-bicyclo[2.2.1]hept-5-en-2-yl-, [1I+/-,2I+/-(E),4I+/-]-
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 2.3438 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 249.72972 |
Chemical Identifiers
| CAS Number | 70634-48-9 |
|---|---|
| SMILES | C/C=C/C(=O)[C@@H]1C[C@@H]2C[C@H]1C=C2 |
Product Overview
2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- (CAS 70634-48-9), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: (E)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]but-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-
Property Insights of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-
The XLogP value of 2.3438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-. With a topological polar surface area (TPSA) of 17.07 Ų, 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- 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-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-?
The CAS number of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- is 70634-48-9.
What is the molecular formula of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-?
The molecular formula of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- is C11H14O.
What is the molecular weight of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-?
The molecular weight of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- is 162.10 g/mol.
Where can I buy 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-?
You can request a quote for 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 1-bicyclo(2.2.1)hept-5-en-2-yl-, (1alpha,2alpha(E),4alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.