![(1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one structure](/static/products/4176/4176-04-9.webp)
(1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one
TL;DR: (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one (CAS 4176-04-9) is a chemical compound with molecular formula C10H16O and molecular weight 152.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4S,6S)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
Also Known As: trans-4-caranone, caranone, trans-4, (1R,4S,6S)-4,7,7-trimethylnorcaran-3-one, (1R,4S,6S)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one, (1R,4S,6S)-4,7,7-Trimethylbicyclo(4.1.0)heptan-3-one
| Molecular Formula | C10H16O |
|---|---|
| Molecular Weight | 152.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.12012 |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 4176-04-9 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@H](C2(C)C)CC1=O |
| InChIKey | ABSCYWMYRVUUIC-BIIVOSGPSA-N |
Product Overview
(1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one (CAS 4176-04-9), with molecular formula C10H16O and molecular weight 152.12 g/mol. IUPAC: (1R,4S,6S)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one.
Chemical Property Profile of (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one
Property Insights of (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-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 (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one?
The CAS number of (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one is 4176-04-9.
What is the molecular formula of (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one?
The molecular formula of (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one is C10H16O.
What is the molecular weight of (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one?
The molecular weight of (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one is 152.12 g/mol.
Where can I buy (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one?
You can request a quote for (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one?
Yes, KEHONG BIO provides custom synthesis services for (1R,4S,6S)-4,7,7-Trimethylbicyclo[4.1.0]heptan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.