1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-
TL;DR: 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- (CAS 71820-55-8) is a chemical compound with molecular formula C13H20O and molecular weight 192.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1S,2S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]butan-1-one
Also Known As: 1-(3,3-Dimethylbicyclo(2.2.1)hept-5-en-2-yl)-1-butanone, 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-, 1-[(1S,2S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]butan-1-one
| Molecular Formula | C13H20O |
|---|---|
| Molecular Weight | 192.15 g/mol |
| LogP | 3.2039 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.15141 |
| Heavy Atoms | 14 |
| Complexity | 274.96014 |
Chemical Identifiers
| CAS Number | 71820-55-8 |
|---|---|
| SMILES | CCCC(=O)[C@H]1[C@H]2C[C@@H](C1(C)C)C=C2 |
Product Overview
1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- (CAS 71820-55-8), with molecular formula C13H20O and molecular weight 192.15 g/mol. IUPAC: 1-[(1S,2S,4R)-3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl]butan-1-one.
Chemical Property Profile of 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-
Property Insights of 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-
The XLogP value of 3.2039 indicates that 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- 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-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-?
The CAS number of 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- is 71820-55-8.
What is the molecular formula of 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-?
The molecular formula of 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- is C13H20O.
What is the molecular weight of 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-?
The molecular weight of 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- is 192.15 g/mol.
Where can I buy 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-?
You can request a quote for 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-(3,3-dimethylbicyclo(2.2.1)hept-5-en-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.