CAS RN: 84655-98-1
3-HHB-O1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 5g / 25g / 100g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS84655-98-1
- Purity/Analytical Methods: >99.0%
84655-98-1 / 1-methoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Basic Information
CAS
84655-98-1
Multi CAS
No
Molecular Formula
C22H34O
Molecular Weight
314.500000
Exact Mass
314.260966
InChI
InChI=1S/C22H34O/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23-2)16-14-21/h13-20H,3-12H2,1-2H3
InChIKey
YGBCZZWUEAKAFO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
98.05
TPSA
9.23
LogP / Solubility
WLOGP
6.58
MLOGP
5.8
XLogP3
8.2
Consensus LogP
6.86
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.76
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 84656-78-0 Benzene, 1-ethoxy-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/84656-78-0.gif)
