![1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone structure](/static/products/5476/54764-61-3.webp)
1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone
TL;DR: 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone (CAS 54764-61-3) is a chemical compound with molecular formula C13H22O and molecular weight 194.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methyl-7-bicyclo[4.1.0]heptanyl)pentan-1-one
Also Known As: 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone, 1-[3-Methylbicyclo[4.1.0]heptan-7-yl]-1-pentanone, 1-Pentanone, 1-(3-methylbicyclo[4.1.0]hept-7-yl)-, 1-(3-Methylbicyclo[4.1.0]heptan-7-yl)pentan-1-one, 1-(4-methyl-7-bicyclo[4.1.0]heptanyl)pentan-1-one
| Molecular Formula | C13H22O |
|---|---|
| Molecular Weight | 194.17 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.16707 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 54764-61-3 |
|---|---|
| SMILES | CCCCC(=O)C1C2C1CC(CC2)C |
| InChIKey | LHEUEDHEEGQWOL-UHFFFAOYSA-N |
Product Overview
1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone (CAS 54764-61-3), with molecular formula C13H22O and molecular weight 194.17 g/mol. IUPAC: 1-(3-methyl-7-bicyclo[4.1.0]heptanyl)pentan-1-one.
Chemical Property Profile of 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone
Property Insights of 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone
The XLogP value of 3.8 indicates that 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone 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[4.1.0]hept-7-yl)-1-pentanone?
The CAS number of 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone is 54764-61-3.
What is the molecular formula of 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone?
The molecular formula of 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone is C13H22O.
What is the molecular weight of 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone?
The molecular weight of 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone is 194.17 g/mol.
Where can I buy 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone?
You can request a quote for 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone 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[4.1.0]hept-7-yl)-1-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylbicyclo[4.1.0]hept-7-yl)-1-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.