![CAS 800379-62-8 Hydroxylamine, O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/800379-62-8.gif)
CAS RN: 800379-62-8
Hydroxylamine, O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]-
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.20250528 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS800379-62-8
- Purity/Analytical Methods: >99.0%
800379-62-8 / O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
Basic Information
CAS
800379-62-8
Multi CAS
No
Molecular Formula
C14F3H18NO
Molecular Weight
273.290000
Exact Mass
273.134049
InChI
InChI=1S/C14H18F3NO/c15-14(16,17)13-8-10(9-19-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11H,1-5,9,18H2
InChIKey
RPYLWTHLCAULNA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.25
TPSA
35.25
LogP / Solubility
WLOGP
4.14
MLOGP
3.65
XLogP3
4.2
Consensus LogP
4
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Benzene, 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)-
- CAS RN: 800381-60-6
- Product Code: SSC-189044
-
-
-
-
(R)-tert-butyl 1-hydroxybut-3-en-2-ylcarbaMate
- CAS RN: 89985-86-4
- Product Code: SSC-202246
-
