3-Thujanone, (+)-, oxime
TL;DR: 3-Thujanone, (+)-, oxime (CAS 69226-36-4) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-[(1R,4S,5S)-4-methyl-1-propyl-3-bicyclo[3.1.0]hexanylidene]hydroxylamine
Also Known As: Isothujone oxime, Isothujonoxim, Isothujonoxim [German], 3-Thujanone, (+)-, oxime, Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-propyl-, oxime, (1R-(1-alpha,4-alpha,5-alpha))-
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 2.6628 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.13101 |
| Heavy Atoms | 12 |
| Complexity | 223.87846 |
Chemical Identifiers
| CAS Number | 69226-36-4 |
|---|---|
| SMILES | CCC[C@]12C[C@H]1[C@@H](/C(=N\O)/C2)C |
Product Overview
3-Thujanone, (+)-, oxime (CAS 69226-36-4), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: (NZ)-N-[(1R,4S,5S)-4-methyl-1-propyl-3-bicyclo[3.1.0]hexanylidene]hydroxylamine.
Chemical Property Profile of 3-Thujanone, (+)-, oxime
Property Insights of 3-Thujanone, (+)-, oxime
The XLogP value of 2.6628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thujanone, (+)-, oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 3-Thujanone, (+)-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Thujanone, (+)-, oxime has 1 hydrogen bond donor(s) and 2 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 3-Thujanone, (+)-, oxime?
The CAS number of 3-Thujanone, (+)-, oxime is 69226-36-4.
What is the molecular formula of 3-Thujanone, (+)-, oxime?
The molecular formula of 3-Thujanone, (+)-, oxime is C10H17NO.
What is the molecular weight of 3-Thujanone, (+)-, oxime?
The molecular weight of 3-Thujanone, (+)-, oxime is 167.13 g/mol.
Where can I buy 3-Thujanone, (+)-, oxime?
You can request a quote for 3-Thujanone, (+)-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thujanone, (+)-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Thujanone, (+)-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.