Crystox oxime
TL;DR: Crystox oxime (CAS 7248-80-8) is a chemical compound with molecular formula C18H29NO2 and molecular weight 291.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-hydroxyimino-4,6,6-trimethylcyclohex-3-en-1-yl)-4,6,6-trimethylcyclohex-3-en-1-ol
Also Known As: Crystox oxime, NCI60_003896, 2-(2-hydroxyimino-4,6,6-trimethylcyclohex-3-en-1-yl)-4,6,6-trimethylcyclohex-3-en-1-ol
| Molecular Formula | C18H29NO2 |
|---|---|
| Molecular Weight | 291.22 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.21982 |
| Heavy Atoms | 21 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 7248-80-8 |
|---|---|
| SMILES | CC1=CC(C(C(C1)(C)C)O)C2C(=NO)C=C(CC2(C)C)C |
| InChIKey | JFSZVSHUGZIAMG-UHFFFAOYSA-N |
Product Overview
Crystox oxime (CAS 7248-80-8), with molecular formula C18H29NO2 and molecular weight 291.22 g/mol. IUPAC: 2-(2-hydroxyimino-4,6,6-trimethylcyclohex-3-en-1-yl)-4,6,6-trimethylcyclohex-3-en-1-ol.
Chemical Property Profile of Crystox oxime
Property Insights of Crystox oxime
The XLogP value of 3.4 indicates that Crystox oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, Crystox oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Crystox oxime has 2 hydrogen bond donor(s) and 3 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 Crystox oxime?
The CAS number of Crystox oxime is 7248-80-8.
What is the molecular formula of Crystox oxime?
The molecular formula of Crystox oxime is C18H29NO2.
What is the molecular weight of Crystox oxime?
The molecular weight of Crystox oxime is 291.22 g/mol.
Where can I buy Crystox oxime?
You can request a quote for Crystox oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crystox oxime?
Yes, KEHONG BIO provides custom synthesis services for Crystox oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.