1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one
TL;DR: 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one (CAS 60988-94-5) is a chemical compound with molecular formula C13H18O and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-one
Also Known As: 1- pent-1-en-3-one, EINECS 262-548-9, 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one, 1-(2-methyl-3-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-one, 1-(3-Methylbicyclo[2.2.1]hept-5-en-2-yl)-1-penten-3-one
| Molecular Formula | C13H18O |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 2.9799 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.13577 |
| Heavy Atoms | 14 |
| Complexity | 287.6107 |
Chemical Identifiers
| CAS Number | 60988-94-5 |
|---|---|
| SMILES | CCC(=O)/C=C/C1C(C2CC1C=C2)C |
Product Overview
1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one (CAS 60988-94-5), with molecular formula C13H18O and molecular weight 190.14 g/mol. IUPAC: (E)-1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-one.
Chemical Property Profile of 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one
Property Insights of 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one
The XLogP value of 2.9799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one 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 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one?
The CAS number of 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one is 60988-94-5.
What is the molecular formula of 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one?
The molecular formula of 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one is C13H18O.
What is the molecular weight of 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one?
The molecular weight of 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one is 190.14 g/mol.
Where can I buy 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one?
You can request a quote for 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbicyclo(2.2.1)hept-5-en-2-yl)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.