2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)-
TL;DR: 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)- (CAS 70634-51-4) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]but-2-en-1-one
Also Known As: Purpurosamine B, 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)-
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.5678 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 217.044 |
Chemical Identifiers
| CAS Number | 70634-51-4 |
|---|---|
| SMILES | C/C=C/C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 |
Product Overview
2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)- (CAS 70634-51-4), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: (E)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]but-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)-
Property Insights of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)-
The XLogP value of 2.5678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Buten-1-one, 1-bicyclo(2.2.1)hept-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-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-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-2-yl-, (1alpha,2alpha(E),4alpha)-?
The CAS number of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)- is 70634-51-4.
What is the molecular formula of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)-?
The molecular formula of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)- is C11H16O.
What is the molecular weight of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)-?
The molecular weight of 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)- is 164.12 g/mol.
Where can I buy 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)-?
You can request a quote for 2-Buten-1-one, 1-bicyclo(2.2.1)hept-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-2-yl-, (1alpha,2alpha(E),4alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 1-bicyclo(2.2.1)hept-2-yl-, (1alpha,2alpha(E),4alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.